data_2eko_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 2eko _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -38.08 -75.73 0.08 OUTLIER Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -137.86 131.36 30.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 0.761 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.432 HD13 ' CD2' ' A' ' 68' ' ' LEU . 9.6 mm -69.36 108.24 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.489 ' CD1' ' O ' ' A' ' 12' ' ' GLU . 1.3 pp -106.64 166.68 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.421 1.076 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.489 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 49.4 mt-10 -70.83 124.48 24.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.42 -28.6 6.46 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.5 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 19.6 m -52.13 137.77 27.13 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.54 121.26 42.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.322 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.552 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.92 156.0 40.72 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.237 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 108.35 2.7 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.452 1.764 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.9 t -91.57 112.02 24.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.392 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.9 tp -42.31 144.78 0.45 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -164.96 108.78 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -80.63 107.79 13.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -68.6 177.68 2.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.414 1.071 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.431 ' C ' ' N ' ' A' ' 25' ' ' ASN . 1.3 tt0 -44.72 -62.06 1.35 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 8.4 m-20 -42.6 -28.02 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 21.3 t30 82.9 48.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 27' ' ' ASP . 45.2 mt-10 -114.91 106.28 13.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.425 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 8.7 p-10 -39.92 101.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.61 1.194 . . . . 0.0 109.227 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -96.52 170.97 8.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.366 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.424 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.8 m95 -145.62 65.03 10.99 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.479 1.112 . . . . 0.0 108.008 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.424 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.1 Cg_endo -74.99 154.08 42.28 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.47 1.774 . . . . 0.0 110.946 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.405 ' CD1' HD12 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -71.34 128.16 34.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -133.01 148.68 52.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 109.369 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -115.44 134.65 54.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.4 mm -67.11 139.62 20.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 47.2 mt -119.21 -50.19 2.36 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.31 150.22 30.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.451 ' CG1' ' N ' ' A' ' 38' ' ' LYS . 94.5 t -113.19 167.91 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.451 ' N ' ' CG1' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -160.13 -179.25 7.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.45 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.4 OUTLIER -160.51 124.03 3.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 13.0 mt -127.3 70.28 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.89 53.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.13 -26.46 8.69 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.476 ' CD ' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -77.3 83.77 3.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.75 . . . . 0.0 110.278 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -70.78 129.19 38.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 109.312 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.476 ' CD1' ' CD ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -109.37 144.8 37.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 44' ' ' LYS . 25.7 m-85 -138.47 124.78 20.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -86.44 93.15 9.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.466 HG11 ' CG2' ' A' ' 61' ' ' VAL . 15.6 m -95.91 154.32 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 30.3 t60 -127.45 115.91 19.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.636 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -58.63 131.26 50.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 111.021 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.405 HD12 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.264 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 83.9 m95 -74.81 148.83 39.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 107.974 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.466 ' CG2' HG11 ' A' ' 48' ' ' VAL . 35.2 m -139.72 -171.72 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.3 p -122.57 174.11 7.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.392 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.449 ' O ' ' N ' ' A' ' 66' ' ' LEU . 3.7 t-160 -69.4 -41.01 76.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.649 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -47.42 -32.14 4.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 110.25 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -86.77 -26.28 24.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.58 1.175 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.457 HD11 ' CD1' ' A' ' 46' ' ' PHE . 71.6 mt -71.48 108.87 5.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -94.49 73.62 3.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.432 ' CD2' HD13 ' A' ' 10' ' ' ILE . 4.0 mt -51.82 -21.48 2.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -67.32 -9.14 38.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -134.54 24.24 3.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.436 HG13 ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -68.9 163.76 3.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 73' ' ' PHE . 35.1 mt-30 -150.6 63.69 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.5 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 26.6 m-85 -37.43 153.88 0.11 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.08 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.139 0 O-C-N 124.534 1.807 . . . . 0.0 111.012 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -37.68 -79.12 0.04 OUTLIER Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -136.03 129.69 32.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.418 HG21 ' CD2' ' A' ' 46' ' ' PHE . 7.2 mm -66.93 113.68 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.483 ' CD1' ' O ' ' A' ' 12' ' ' GLU . 1.6 pp -115.47 171.94 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.483 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 48.9 mt-10 -73.94 124.67 26.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.33 -30.6 5.95 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.433 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 24.3 m -50.26 135.63 21.15 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.425 ' CD ' HD13 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -113.76 122.86 48.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.107 . . . . 0.0 110.291 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.576 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -149.38 154.58 38.77 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 113.51 3.81 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.48 1.779 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 68.2 t -91.77 107.54 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 tp -40.05 149.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -165.4 108.4 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.428 ' CG ' ' OD1' ' A' ' 27' ' ' ASP . 9.0 mtt180 -83.52 103.26 12.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.348 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -66.73 178.66 1.25 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.416 ' C ' ' N ' ' A' ' 25' ' ' ASN . 36.8 tt0 -46.52 -58.36 3.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.591 1.182 . . . . 0.0 110.258 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 1.2 m-20 -46.76 -25.48 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 3.1 t-20 82.65 38.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 28' ' ' GLU . 32.7 mt-10 -103.25 98.72 8.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.428 ' OD1' ' CG ' ' A' ' 21' ' ' ARG . 29.5 m-20 -40.22 98.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 109.376 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 26' ' ' GLU . 16.5 tt0 -91.31 169.71 10.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.405 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 98.2 m95 -141.31 65.36 21.56 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.405 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.2 Cg_endo -75.06 126.19 9.77 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.464 1.77 . . . . 0.0 110.968 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.425 HD13 ' CD ' ' A' ' 15' ' ' ARG . 1.0 OUTLIER -49.93 150.06 2.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.261 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -153.4 174.55 14.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.26 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -138.53 135.86 35.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.5 mm -71.0 138.16 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.5 mt -117.01 -45.38 2.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.343 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.85 145.38 17.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.95 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 38' ' ' LYS . 97.3 t -107.15 167.94 3.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.404 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.446 ' N ' ' CG1' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -158.49 -177.62 6.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.455 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 1.1 t70 -161.9 124.07 2.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.449 ' CD1' HD22 ' A' ' 45' ' ' LEU . 8.0 mt -126.02 73.74 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.19 51.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.398 1.061 . . . . 0.0 110.015 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.7 -28.91 9.18 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.463 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -75.16 87.75 2.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.601 0.824 . . . . 0.0 110.333 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -74.3 127.55 33.28 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.424 1.077 . . . . 0.0 109.325 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.463 HD13 ' CD ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -107.26 148.29 29.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 44' ' ' LYS . 27.2 m-85 -141.92 113.31 7.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.431 1.082 . . . . 0.0 111.042 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -75.03 95.52 3.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.443 HG12 ' CG2' ' A' ' 61' ' ' VAL . 15.9 m -96.0 163.47 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -127.25 118.16 23.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.412 1.07 . . . . 0.0 109.618 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -66.6 112.13 3.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -78.6 149.28 32.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 107.973 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.443 ' CG2' HG12 ' A' ' 48' ' ' VAL . 34.9 m -141.82 -178.37 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 49.6 p -114.21 176.47 5.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 110.403 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 63' ' ' HIS . 7.0 t-160 -77.1 -13.99 59.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.6 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -68.03 -31.31 70.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -88.99 -28.54 20.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 110.307 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.498 HD11 ' CD1' ' A' ' 46' ' ' PHE . 75.7 mt -63.32 116.34 5.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -103.21 73.36 1.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.112 . . . . 0.0 109.242 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.411 ' CD2' HD22 ' A' ' 16' ' ' LEU . 3.9 mt -51.47 -21.5 2.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.5 mttm -66.0 -10.36 38.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -131.5 14.66 4.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -56.08 159.16 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 73' ' ' PHE . 37.4 mt-30 -146.99 63.27 1.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.247 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.433 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 25.5 m-85 -37.21 152.75 0.11 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 111.004 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.204 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 179.975 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -37.99 -81.62 0.02 OUTLIER Glycine 0 CA--C 1.531 1.085 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -138.62 134.34 33.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 0.794 . . . . 0.0 110.292 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.462 ' CD1' HD23 ' A' ' 16' ' ' LEU . 7.1 mm -68.16 108.64 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.403 ' CD1' ' O ' ' A' ' 12' ' ' GLU . 1.8 pp -112.8 170.73 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.403 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 49.2 mt-10 -71.74 122.99 21.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.5 -29.42 6.38 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 110.947 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.47 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 14.8 m -50.93 138.27 19.45 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -116.07 120.04 37.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.54 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -147.68 156.04 44.96 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 107.02 2.39 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.427 1.751 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.41 ' CG1' HG12 ' A' ' 61' ' ' VAL . 50.1 t -90.02 114.45 27.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.443 1.09 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.438 ' HB3' ' CG ' ' A' ' 65' ' ' ARG . 5.3 tp -47.1 149.18 0.98 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.414 1.071 . . . . 0.0 109.201 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 -162.41 106.3 1.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.424 ' NE ' ' OD2' ' A' ' 27' ' ' ASP . 35.6 mtt180 -85.35 103.47 14.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 -66.23 179.16 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -52.04 -48.06 64.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.258 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.477 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 8.3 m-20 -57.57 -22.2 43.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 20.9 t30 80.93 42.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 28' ' ' GLU . 34.3 mt-10 -103.01 89.32 3.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.424 ' OD2' ' NE ' ' A' ' 21' ' ' ARG . 5.1 m-20 -42.64 97.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 26' ' ' GLU . 12.3 tt0 -94.42 169.18 10.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.266 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.427 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.4 m95 -139.14 65.01 35.01 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -74.99 154.5 42.59 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.521 1.8 . . . . 0.0 110.996 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.65 128.97 37.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -133.35 146.36 51.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -113.86 135.41 54.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.246 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.2 mm -68.32 144.05 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 41.2 mt -124.66 -50.71 1.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.7 145.46 25.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.013 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.437 ' CG1' ' N ' ' A' ' 38' ' ' LYS . 89.3 t -110.62 168.0 4.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.437 ' N ' ' CG1' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -160.62 -175.87 5.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.459 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.9 OUTLIER -160.9 119.88 2.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.464 1.103 . . . . 0.0 109.383 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.448 ' CD1' HD23 ' A' ' 45' ' ' LEU . 11.7 mt -121.14 73.11 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 72.5 54.23 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.94 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.14 -28.26 6.85 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.536 1.147 . . . . 0.0 110.949 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.474 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -75.57 84.85 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 0.737 . . . . 0.0 110.321 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.581 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -69.81 126.63 30.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.474 HD13 ' CD ' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -104.88 152.6 22.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.581 ' CZ ' ' HB3' ' A' ' 44' ' ' LYS . 21.3 m-85 -145.5 117.65 8.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -79.2 91.82 5.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.555 1.159 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.439 HG11 ' CG2' ' A' ' 61' ' ' VAL . 11.4 m -95.86 154.7 3.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -130.7 115.86 17.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.616 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -58.82 130.09 45.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.305 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -77.02 139.14 39.97 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.439 ' CG2' HG11 ' A' ' 48' ' ' VAL . 32.6 m -128.75 -171.79 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.2 p -123.11 174.52 7.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.405 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 66' ' ' LEU . 1.2 t-160 -65.78 -44.53 85.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 109.605 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -45.87 -36.78 5.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.292 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.438 ' CG ' ' HB3' ' A' ' 19' ' ' LEU . 2.6 mtt180 -77.55 -31.47 53.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.092 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 63' ' ' HIS . 29.4 mt -69.64 115.17 8.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.41 ' C ' ' N ' ' A' ' 69' ' ' LYS . 5.3 t0 -102.39 72.69 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.351 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.9 mt -50.82 -21.43 1.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.41 ' N ' ' C ' ' A' ' 67' ' ' ASP . 0.8 OUTLIER -65.35 -9.82 27.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.2 mttp -135.44 21.77 3.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.415 HG13 ' CD2' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -63.44 166.06 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 73' ' ' PHE . 14.1 mt-30 -153.3 62.28 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.074 . . . . 0.0 110.331 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.47 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 29.8 m-85 -36.72 153.43 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.936 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.552 1.817 . . . . 0.0 111.024 179.932 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -37.15 -81.14 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -136.33 131.67 34.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 0.747 . . . . 0.0 110.25 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.6 mm -68.13 111.68 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.36 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.469 ' CD1' ' O ' ' A' ' 12' ' ' GLU . 1.5 pp -114.67 172.53 3.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.469 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 61.1 mt-10 -74.5 123.49 24.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.266 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.66 -27.01 7.39 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.46 1.1 . . . . 0.0 110.923 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.539 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 22.0 m -52.89 137.52 32.07 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.5 mtm105 -115.73 120.36 39.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 110.325 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.549 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -147.37 155.67 46.06 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.256 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 108.24 2.67 Favored 'Trans proline' 0 C--N 1.362 1.262 0 O-C-N 124.488 1.783 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 43.4 t -93.69 125.71 46.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 32.0 tp -42.54 145.28 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.4 ttt85 -160.02 100.49 1.4 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.477 1.111 . . . . 0.0 110.274 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -85.44 105.96 16.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -66.94 172.76 4.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -53.75 -25.29 18.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.341 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 4.8 m-20 -74.71 -21.58 59.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.341 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 25.9 t30 81.16 38.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 0.0 109.325 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 28' ' ' GLU . 33.3 mt-10 -106.37 91.88 3.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -41.14 97.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 26' ' ' GLU . 15.6 tt0 -92.76 169.15 10.7 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.462 1.101 . . . . 0.0 110.258 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.449 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.4 m95 -136.21 63.89 51.6 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 107.988 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.449 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.2 Cg_endo -74.98 150.39 38.16 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.491 1.785 . . . . 0.0 110.962 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.414 HD12 ' N ' ' A' ' 32' ' ' ALA . 0.5 OUTLIER -64.02 133.25 52.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.414 ' N ' HD12 ' A' ' 31' ' ' LEU . . . -135.21 143.09 46.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.437 1.086 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -112.79 131.46 55.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mm -67.47 140.66 18.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.494 HD12 ' CD2' ' A' ' 47' ' ' TYR . 37.4 mt -119.62 -53.16 2.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.0 145.18 26.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.957 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.443 ' CG1' ' N ' ' A' ' 38' ' ' LYS . 91.1 t -109.59 167.97 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.459 ' CE ' HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -160.25 -176.37 5.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.472 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -159.62 122.08 3.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.253 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.459 HD12 ' CE ' ' A' ' 38' ' ' LYS . 90.0 mt -141.84 102.99 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.55 47.58 2.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.963 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.27 6.55 47.9 Favored Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.459 1.099 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.521 ' CD ' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -101.73 84.03 2.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 110.325 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -62.66 127.54 31.77 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.407 1.067 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.521 ' CD1' ' CD ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -105.21 154.15 20.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.574 ' CZ ' ' HB3' ' A' ' 44' ' ' LYS . 27.0 m-85 -147.25 116.85 7.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.494 ' CD2' HD12 ' A' ' 35' ' ' LEU . 6.6 t80 -80.46 90.04 5.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.406 1.066 . . . . 0.0 110.947 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.9 m -95.97 153.66 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.315 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -125.47 116.09 21.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.583 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -59.92 129.78 43.53 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 86.4 m95 -86.79 128.58 35.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 107.986 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 18.2 m -121.67 -171.63 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.632 1.208 . . . . 0.0 109.316 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 76.3 p -119.95 179.73 4.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.417 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 66' ' ' LEU . 3.6 t-160 -75.35 -41.12 57.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.587 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -50.19 -26.22 4.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.9 mtt85 -89.39 -24.34 21.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.29 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.506 HD11 ' CD1' ' A' ' 46' ' ' PHE . 63.0 mt -73.61 112.25 9.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -97.64 74.14 2.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.232 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.4 mt -53.05 -20.27 3.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.127 . . . . 0.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -68.11 -8.36 37.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -135.99 22.66 3.29 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.43 HG13 ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -65.68 160.0 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 73' ' ' PHE . 4.1 mt-30 -146.66 62.69 1.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.539 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 26.5 m-85 -36.89 153.92 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.036 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.484 1.781 . . . . 0.0 110.928 -179.977 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -39.92 -83.05 0.01 OUTLIER Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -138.14 132.42 31.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.456 ' CD1' HD23 ' A' ' 16' ' ' LEU . 6.6 mm -66.32 111.19 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.9 pp -114.19 170.11 4.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -72.79 123.22 22.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.19 -30.84 5.68 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.9 m -51.49 141.12 16.45 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.463 ' CD ' HD12 ' A' ' 31' ' ' LEU . 5.5 mtt180 -117.53 122.11 42.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.365 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.568 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.75 154.42 40.5 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 107.5 2.5 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.508 1.794 . . . . 0.0 111.04 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.429 ' CG1' HG13 ' A' ' 61' ' ' VAL . 43.3 t -90.0 114.5 27.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.8 tp -41.94 138.23 1.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.243 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.458 ' CZ ' ' HA ' ' A' ' 22' ' ' ASN . 0.2 OUTLIER -152.53 112.64 4.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -90.71 96.61 10.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 110.316 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.458 ' HA ' ' CZ ' ' A' ' 20' ' ' ARG . 3.5 p30 -58.77 176.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.421 ' C ' ' N ' ' A' ' 25' ' ' ASN . 1.6 mt-30 -45.63 -58.29 3.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.235 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.504 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 1.7 m-20 -46.42 -25.55 0.68 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 2.0 t-20 82.11 43.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.354 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 28' ' ' GLU . 29.1 mt-10 -107.01 98.82 8.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.238 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.41 98.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 26' ' ' GLU . 14.2 tt0 -94.5 169.14 10.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.571 1.169 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.426 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 98.0 m95 -138.57 64.84 38.61 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.426 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -74.96 152.37 40.89 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.531 1.806 . . . . 0.0 111.006 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.463 HD12 ' CD ' ' A' ' 15' ' ' ARG . 0.6 OUTLIER -69.63 129.28 39.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -134.8 145.25 48.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.354 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -111.9 137.01 50.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.361 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mm -69.33 136.66 25.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 47.5 mt -116.41 -52.33 2.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.79 144.82 24.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.971 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.437 ' CG1' ' N ' ' A' ' 38' ' ' LYS . 88.6 t -108.46 168.09 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.47 ' CE ' HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -160.1 -177.56 6.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.148 . . . . 0.0 109.245 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.478 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.4 OUTLIER -158.85 121.04 3.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.47 HD12 ' CE ' ' A' ' 38' ' ' LYS . 80.1 mt -141.09 110.8 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.07 48.98 9.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.934 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 67.28 7.85 47.48 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.564 ' CD ' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -104.34 94.09 5.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 0.756 . . . . 0.0 110.283 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.587 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -70.56 127.35 32.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.4 1.063 . . . . 0.0 109.257 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.564 ' CD1' ' CD ' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -105.84 152.5 23.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.587 ' CZ ' ' HB3' ' A' ' 44' ' ' LYS . 23.2 m-85 -145.75 119.6 9.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -81.41 91.1 6.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.973 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.442 HG11 ' CG2' ' A' ' 61' ' ' VAL . 11.9 m -96.0 154.18 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -129.16 115.89 18.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.574 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -59.07 131.11 50.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.41 ' CD1' HD13 ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -87.64 140.98 28.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 107.973 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.442 ' CG2' HG11 ' A' ' 48' ' ' VAL . 28.5 m -130.66 -171.61 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.4 p -122.28 170.9 9.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 66' ' ' LEU . 2.0 t-160 -62.31 -46.33 89.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.539 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -48.17 -28.01 2.73 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 110.358 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -85.18 -28.42 25.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.161 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 63' ' ' HIS . 38.4 mt -74.34 115.56 13.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.407 ' C ' ' N ' ' A' ' 69' ' ' LYS . 12.1 t0 -100.89 73.14 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.3 mt -50.81 -21.54 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 67' ' ' ASP . 9.8 mttt -64.52 -10.94 29.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.224 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -134.42 21.84 3.69 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.403 HG13 ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -62.22 156.73 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.535 ' O ' ' CG ' ' A' ' 72' ' ' GLN . 3.3 tt0 -143.31 71.01 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -45.89 151.77 0.83 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 111.029 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.194 0 O-C-N 124.498 1.788 . . . . 0.0 111.051 179.958 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -38.5 -78.21 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -136.18 130.06 32.61 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.469 0.747 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.439 HD13 ' CD2' ' A' ' 68' ' ' LEU . 10.4 mm -67.63 108.09 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 109.377 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.418 ' CD1' ' O ' ' A' ' 12' ' ' GLU . 1.7 pp -106.14 169.45 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.418 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 48.4 mt-10 -73.72 124.79 26.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.33 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.48 -29.6 6.07 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.547 1.154 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.573 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 31.5 m -51.92 136.39 28.64 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.4 mtm105 -114.47 121.29 43.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 0.0 110.305 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.551 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.14 156.3 43.41 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.371 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 108.34 2.69 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.526 1.803 . . . . 0.0 111.043 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.0 t -91.52 114.54 28.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.1 tp -46.84 129.33 11.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 109.358 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.5 ttt-85 -147.79 112.19 5.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -85.76 111.26 19.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 25' ' ' ASN . 10.2 p30 -73.23 -179.96 3.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 1.076 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -44.31 -60.5 1.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 110.273 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.506 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 36.0 m-20 -45.62 -27.42 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 24.5 t30 82.05 42.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 28' ' ' GLU . 41.2 mt-10 -105.32 107.06 17.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.432 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 7.6 p-10 -42.59 97.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' GLU . 4.6 tt0 -94.23 166.12 12.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.289 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.441 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.1 m95 -140.34 64.29 24.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.441 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.0 Cg_endo -75.11 156.2 42.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.522 1.801 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.447 ' CD1' HD12 ' A' ' 51' ' ' ILE . 0.4 OUTLIER -71.77 127.76 33.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.61 1.194 . . . . 0.0 109.346 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.419 ' N ' HD13 ' A' ' 31' ' ' LEU . . . -132.82 143.17 49.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.244 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -110.98 133.52 53.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.441 1.088 . . . . 0.0 110.331 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.7 mm -67.72 139.31 21.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.455 HD12 ' CD2' ' A' ' 47' ' ' TYR . 34.9 mt -119.05 -46.43 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.9 144.92 20.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.385 1.053 . . . . 0.0 110.036 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.424 HG11 ' N ' ' A' ' 38' ' ' LYS . 98.7 t -106.75 167.75 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.353 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.424 ' N ' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -159.69 -178.43 7.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.461 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.6 OUTLIER -161.36 124.82 3.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.201 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.0 mt -128.7 77.35 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.68 49.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.989 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.27 -23.48 21.27 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.526 1.141 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.467 ' CD ' HD11 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -78.3 86.61 4.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 0.779 . . . . 0.0 110.31 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.588 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -71.2 129.83 39.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.467 HD11 ' CD ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -112.44 137.14 51.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.588 ' CZ ' ' HB3' ' A' ' 44' ' ' LYS . 8.2 m-85 -130.73 117.28 19.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.455 ' CD2' HD12 ' A' ' 35' ' ' LEU . 7.4 t80 -76.1 90.25 3.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 111.029 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.473 HG12 ' CG2' ' A' ' 61' ' ' VAL . 21.9 m -95.81 152.89 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -124.92 115.89 21.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.614 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -65.17 108.99 2.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.447 HD12 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -87.67 137.14 32.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 108.012 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.473 ' CG2' HG12 ' A' ' 48' ' ' VAL . 32.8 m -133.66 175.85 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 67.3 p -106.31 -172.9 2.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 110.446 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.496 ' CD2' ' O ' ' A' ' 63' ' ' HIS . 4.4 t-160 -86.1 -23.99 26.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.599 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -60.24 -32.43 71.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 110.292 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.83 -29.61 25.19 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.53 1.144 . . . . 0.0 110.263 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.474 HD12 ' CD1' ' A' ' 46' ' ' PHE . 63.1 mt -64.03 113.27 3.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.246 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.405 ' C ' ' N ' ' A' ' 69' ' ' LYS . 12.1 t0 -99.17 72.12 1.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.47 ' CD2' HD22 ' A' ' 16' ' ' LEU . 4.0 mt -50.71 -21.88 1.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 67' ' ' ASP . 4.0 mttm -65.39 -10.32 32.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -134.51 24.74 3.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.407 HG13 ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -67.62 160.63 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 73' ' ' PHE . 17.7 mt-30 -147.18 62.75 1.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.586 1.179 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.573 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 26.0 m-85 -37.17 154.56 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.073 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.525 1.803 . . . . 0.0 110.999 -179.955 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.531 1.078 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -37.82 -77.77 0.06 OUTLIER Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -136.27 130.43 33.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 110.289 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.3 mm -69.53 110.37 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.468 ' CD1' ' O ' ' A' ' 12' ' ' GLU . 1.4 pp -111.26 168.26 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.468 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 50.7 mt-10 -72.8 124.18 24.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.36 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.36 -26.54 7.32 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.8 m -54.01 138.75 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.5 mtm105 -114.14 122.66 47.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.573 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -149.16 153.72 38.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 107.83 2.58 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.525 1.802 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.465 HG22 ' CG2' ' A' ' 48' ' ' VAL . 55.7 t -89.58 110.53 21.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.102 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.2 tp -42.19 130.49 3.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.133 . . . . 0.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -140.62 113.96 8.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.242 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 45.1 mtt180 -91.71 98.81 11.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.352 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -58.67 175.26 0.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -50.38 -47.32 56.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.469 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 7.6 m-20 -56.61 -19.77 17.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.469 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 4.2 t-20 80.71 41.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 28' ' ' GLU . 32.2 mt-10 -102.77 99.89 9.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 110.351 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -47.41 95.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' GLU . 17.3 tt0 -95.54 168.35 10.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.418 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 98.8 m95 -135.67 65.27 60.44 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.2 Cg_endo -75.02 143.79 29.41 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.515 1.797 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.426 HD11 ' N ' ' A' ' 32' ' ' ALA . 0.5 OUTLIER -56.46 135.86 54.16 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.55 1.156 . . . . 0.0 109.252 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.426 ' N ' HD11 ' A' ' 31' ' ' LEU . . . -138.1 149.56 46.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -124.23 134.39 53.27 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.0 mm -66.66 138.0 23.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.6 mt -121.13 -46.44 2.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.599 1.187 . . . . 0.0 109.323 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.14 141.52 19.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.0 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.568 HG12 ' CE1' ' A' ' 46' ' ' PHE . 65.9 t -106.88 167.99 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.456 ' CD ' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -159.42 -178.37 7.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.452 1.095 . . . . 0.0 109.391 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.469 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.3 OUTLIER -157.84 118.37 3.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.456 HD11 ' CD ' ' A' ' 38' ' ' LYS . 25.5 mm -124.71 92.03 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.262 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.84 46.61 11.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.966 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.85 -22.49 28.21 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.504 1.128 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.512 ' CD ' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -78.24 93.84 4.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.397 0.704 . . . . 0.0 110.361 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 1.7 mtmt -76.19 126.22 30.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.512 ' CD1' ' CD ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -104.94 153.74 21.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 44' ' ' LYS . 33.8 m-85 -146.94 121.36 9.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.58 1.175 . . . . 0.0 110.991 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -81.71 91.87 6.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 110.966 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.465 ' CG2' HG22 ' A' ' 18' ' ' VAL . 16.5 m -95.83 141.98 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -109.21 118.8 37.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.626 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -68.34 76.18 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.359 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -80.73 150.15 29.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 107.946 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.46 HG23 ' CG2' ' A' ' 48' ' ' VAL . 4.5 m -144.52 -174.69 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.572 1.17 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.1 p -123.7 167.26 14.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.581 1.175 . . . . 0.0 110.406 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.558 ' CD2' ' O ' ' A' ' 63' ' ' HIS . 9.3 t-160 -61.29 -16.54 46.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.599 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -64.14 -40.62 96.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.538 1.149 . . . . 0.0 110.346 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.96 -25.9 27.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.257 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.565 HD13 ' CD2' ' A' ' 46' ' ' PHE . 56.2 mt -68.32 110.9 4.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.41 ' O ' ' OD1' ' A' ' 67' ' ' ASP . 22.5 t0 -98.84 76.0 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.477 ' CD2' HD22 ' A' ' 16' ' ' LEU . 4.2 mt -54.94 -19.49 6.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.419 1.074 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -69.11 -8.17 42.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -134.44 18.03 3.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 109.256 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.23 163.42 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 73' ' ' PHE . 19.6 mt-30 -149.86 63.16 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.263 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.426 ' C ' ' O ' ' A' ' 72' ' ' GLN . 25.7 m-85 -35.89 153.07 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 111.064 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.115 0 O-C-N 124.527 1.804 . . . . 0.0 111.04 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -37.76 -77.64 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -136.58 130.41 32.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 0.758 . . . . 0.0 110.354 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.514 HG23 ' CD2' ' A' ' 46' ' ' PHE . 7.5 mm -67.37 109.39 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.472 ' CD1' ' O ' ' A' ' 12' ' ' GLU . 1.7 pp -108.73 176.88 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.472 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 64.4 mt-10 -80.16 123.18 27.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 110.333 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 117.63 -28.09 7.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.149 . . . . 0.0 111.033 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.56 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 6.1 m -51.72 140.3 19.3 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.469 ' CD ' HD13 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -115.34 120.22 38.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.553 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -147.27 152.48 42.88 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 109.265 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 111.63 3.37 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.583 1.833 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.6 t -89.53 112.13 23.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 27' ' ' ASP . 2.4 tp -43.78 148.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.87 100.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.417 1.073 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.427 ' CA ' ' HA ' ' A' ' 27' ' ' ASP . 1.0 OUTLIER -73.34 143.9 46.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.576 1.172 . . . . 0.0 110.274 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -78.76 -179.66 6.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.28 -17.57 8.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.092 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 3.3 m-20 -86.99 -8.84 56.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.248 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 9.6 t30 81.86 26.16 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 28' ' ' GLU . 23.7 mt-10 -92.13 87.63 6.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.468 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 19.2 m-20 -41.88 100.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 26' ' ' GLU . 11.0 tt0 -88.47 168.67 12.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.196 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.423 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.8 m95 -137.58 64.97 46.48 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.423 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -75.0 152.71 41.1 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.585 1.834 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.469 HD13 ' CD ' ' A' ' 15' ' ' ARG . 0.4 OUTLIER -66.74 132.98 49.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.42 ' N ' HD12 ' A' ' 31' ' ' LEU . . . -138.14 140.96 40.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -111.76 134.56 53.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.2 mm -68.41 148.74 11.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 37.4 mt -126.93 -47.31 1.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.243 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.22 143.87 16.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.013 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 38' ' ' LYS . 60.2 t -107.06 168.4 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.466 ' HE3' ' CD1' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -160.16 179.77 8.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.463 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.8 OUTLIER -155.19 122.26 5.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.466 ' CD1' ' HE3' ' A' ' 38' ' ' LYS . 91.4 mt -143.77 118.26 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 109.365 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 54.44 42.55 31.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.999 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.16 1.93 57.66 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.468 1.105 . . . . 0.0 110.957 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.587 ' CD ' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -98.57 97.62 8.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 110.351 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -72.59 127.22 31.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.587 ' CD1' ' CD ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -104.61 149.19 25.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.368 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 44' ' ' LYS . 27.3 m-85 -142.86 113.9 7.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 111.049 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.444 ' CD1' ' CD1' ' A' ' 60' ' ' TRP . 4.7 t80 -77.0 91.22 3.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.098 . . . . 0.0 110.987 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.472 HG22 ' CG2' ' A' ' 61' ' ' VAL . 11.4 m -95.64 149.51 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -116.29 115.46 25.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.658 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -65.38 118.18 9.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.444 ' CD1' ' CD1' ' A' ' 47' ' ' TYR . 35.7 m95 -76.89 144.16 39.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 107.988 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.472 ' CG2' HG22 ' A' ' 48' ' ' VAL . 23.5 m -130.69 -172.04 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.2 p -114.78 164.27 14.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.415 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.609 ' CD2' ' O ' ' A' ' 63' ' ' HIS . 3.3 t-160 -68.14 -10.03 51.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.602 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -74.95 -38.98 61.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.266 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -78.85 -31.7 45.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.443 HD13 ' CD1' ' A' ' 46' ' ' PHE . 31.3 mt -61.92 102.17 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 67' ' ' ASP . 13.2 t0 -89.3 78.41 7.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.452 HD23 ' CD2' ' A' ' 16' ' ' LEU . 1.7 mt -56.87 -18.15 12.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -67.55 -9.43 42.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.352 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.1 mttp -134.31 17.97 3.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.452 HG13 ' CD2' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -59.07 161.6 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.583 1.177 . . . . 0.0 109.26 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 73' ' ' PHE . 18.7 mt-30 -148.62 62.95 1.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.56 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 26.5 m-85 -36.58 153.35 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.521 1.8 . . . . 0.0 111.073 179.941 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -40.21 -79.83 0.04 OUTLIER Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -137.25 131.48 32.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 0.72 . . . . 0.0 110.27 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.445 ' CG2' HD12 ' A' ' 34' ' ' ILE . 8.1 mm -67.85 108.57 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.9 pp -108.72 172.03 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -74.41 123.29 24.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.48 -34.28 4.32 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.517 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 17.8 m -47.87 139.82 7.3 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -116.45 120.86 40.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.347 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.553 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -146.96 154.41 46.88 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 110.51 3.13 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.52 1.8 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.468 ' CG1' HG11 ' A' ' 61' ' ' VAL . 52.5 t -91.41 113.6 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.6 tp -43.0 143.08 0.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.2 ttt85 -156.32 114.36 3.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -94.38 109.71 21.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.285 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -68.14 178.2 1.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -52.98 -45.72 67.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.142 . . . . 0.0 110.336 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 33.4 m-20 -59.87 -18.09 41.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 9.3 m-20 80.06 53.58 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -112.52 112.81 24.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 15.1 p-10 -59.28 93.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -89.83 166.81 13.3 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.419 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.0 m95 -140.91 65.23 23.03 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.419 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.2 Cg_endo -75.06 150.94 38.62 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.488 1.783 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.411 HD11 ' N ' ' A' ' 32' ' ' ALA . 0.5 OUTLIER -68.66 128.74 37.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.411 ' N ' HD11 ' A' ' 31' ' ' LEU . . . -133.54 146.71 51.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -113.87 135.18 54.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 110.312 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.445 HD12 ' CG2' ' A' ' 10' ' ' ILE . 4.8 mm -66.56 144.47 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.504 HD11 ' CD2' ' A' ' 47' ' ' TYR . 57.4 mt -123.96 -53.73 1.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.81 143.26 24.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.989 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.449 ' CG1' ' N ' ' A' ' 38' ' ' LYS . 97.7 t -106.17 168.05 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.449 ' N ' ' CG1' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -158.38 -178.51 7.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.267 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.452 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 1.0 OUTLIER -160.83 122.41 3.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.4 mt -126.55 74.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.238 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.45 52.18 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.975 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.94 -26.02 10.67 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.443 ' CD ' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -77.0 85.97 3.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 0.774 . . . . 0.0 110.342 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 2.6 mtmt -72.98 126.31 29.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.443 ' CD1' ' CD ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -107.26 150.22 26.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 44' ' ' LYS . 16.9 m-85 -143.15 126.7 16.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.133 . . . . 0.0 111.033 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.504 ' CD2' HD11 ' A' ' 35' ' ' LEU . 6.3 t80 -87.61 92.62 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.412 1.07 . . . . 0.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 26.8 m -95.72 154.76 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -129.09 115.74 18.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.628 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -59.35 125.64 24.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 111.073 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -74.15 155.74 38.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 107.989 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.468 HG11 ' CG1' ' A' ' 18' ' ' VAL . 21.4 m -149.33 176.93 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.5 p -108.71 171.27 7.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 110.378 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 63' ' ' HIS . 5.8 t-160 -69.9 -23.41 63.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 109.638 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -62.64 -35.04 78.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 0.0 110.33 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.97 -32.32 39.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.456 ' HB3' ' CD2' ' A' ' 16' ' ' LEU . 27.8 mt -66.0 121.53 15.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -107.86 77.58 1.13 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.437 1.086 . . . . 0.0 109.273 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.517 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -55.04 -18.24 4.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.392 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -63.82 -11.56 28.24 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.01 10.51 3.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.441 ' CD1' HD13 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -45.56 167.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -154.72 63.96 0.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 110.288 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.517 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 31.7 m-85 -41.51 153.46 0.26 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.187 0 O-C-N 124.479 1.779 . . . . 0.0 110.951 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.47 -71.56 1.82 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -138.2 125.13 21.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 110.345 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.3 mm -78.11 115.56 20.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.413 1.07 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 12' ' ' GLU . 1.4 pp -115.9 168.36 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.496 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 63.5 mt-10 -72.32 123.92 24.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 117.97 -23.59 9.27 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.2 m -56.42 138.47 51.23 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.2 mtm105 -114.44 121.13 42.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.322 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.553 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.61 155.47 41.75 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 107.37 2.47 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.527 1.804 . . . . 0.0 111.034 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.443 HG21 ' CG2' ' A' ' 48' ' ' VAL . 76.4 t -89.77 110.16 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 tp -42.88 139.55 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -154.43 114.69 3.88 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.425 1.078 . . . . 0.0 110.258 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.418 ' NH1' ' HB3' ' A' ' 27' ' ' ASP . 24.5 mtt-85 -92.43 103.22 15.67 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.466 1.104 . . . . 0.0 110.266 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -65.27 178.68 0.86 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -50.67 -46.52 58.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.252 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 70.2 m-20 -54.53 -23.4 16.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.479 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 4.4 t30 80.5 40.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 28' ' ' GLU . 38.0 mt-10 -106.03 108.31 19.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.326 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.446 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 7.8 p-10 -48.52 95.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 26' ' ' GLU . 6.9 tt0 -91.81 163.64 13.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.425 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 96.1 m95 -137.32 64.91 48.16 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 108.032 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.425 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -74.95 140.68 25.89 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.565 1.824 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.421 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -57.42 127.78 33.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -131.64 145.39 51.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.095 . . . . 0.0 109.353 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -114.37 134.51 54.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.3 mm -67.76 135.53 28.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.9 mt -115.6 -48.95 2.75 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.596 1.185 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.82 150.85 30.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 110.003 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' A' ' 38' ' ' LYS . 89.3 t -114.78 167.95 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.456 ' N ' ' CG1' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -159.19 -176.81 6.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.451 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -163.48 124.36 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.444 ' CD1' HD22 ' A' ' 45' ' ' LEU . 6.9 mt -127.43 74.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 72.34 46.89 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.013 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.49 -26.36 20.18 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.533 1.145 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.472 ' CD ' HD11 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -76.32 85.6 3.1 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.521 0.777 . . . . 0.0 110.301 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.583 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -71.81 128.05 34.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.472 HD11 ' CD ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -109.87 139.1 45.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.583 ' CZ ' ' HB3' ' A' ' 44' ' ' LYS . 21.7 m-85 -132.83 124.06 27.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 0.0 110.975 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -84.34 95.82 8.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.443 ' CG2' HG21 ' A' ' 18' ' ' VAL . 32.4 m -97.85 154.26 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -129.04 116.44 19.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 109.547 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -60.96 113.73 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 111.043 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.421 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -86.63 144.71 27.03 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.438 HG12 ' CG1' ' A' ' 18' ' ' VAL . 32.9 m -138.82 -174.48 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 51.6 p -119.74 176.72 5.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.435 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.531 ' CD2' ' O ' ' A' ' 63' ' ' HIS . 19.2 t-160 -73.35 -15.55 61.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.59 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -65.69 -42.46 91.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.259 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.97 -20.72 37.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.48 ' CD1' ' CD1' ' A' ' 46' ' ' PHE . 77.1 mt -72.8 102.39 3.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.412 ' O ' ' OD1' ' A' ' 67' ' ' ASP . 21.7 t0 -91.54 75.27 5.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.219 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.475 ' CD2' HD21 ' A' ' 16' ' ' LEU . 3.8 mt -54.53 -19.64 6.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -68.31 -8.33 38.77 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.7 mttp -134.14 19.04 3.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.347 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.433 HG13 ' CG ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -62.6 163.6 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 73' ' ' PHE . 20.4 mt-30 -149.73 63.37 1.0 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 72' ' ' GLN . 25.5 m-85 -36.15 153.41 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 111.063 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.177 0 O-C-N 124.551 1.817 . . . . 0.0 110.992 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -40.6 -75.84 0.11 Allowed Glycine 0 CA--C 1.529 0.944 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -136.32 130.22 32.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 0.737 . . . . 0.0 110.338 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.4 mm -69.11 109.14 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.477 ' CD1' ' O ' ' A' ' 12' ' ' GLU . 1.5 pp -108.57 168.97 3.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.477 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 45.0 mt-10 -74.0 126.57 30.78 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.56 -28.23 7.57 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.448 1.092 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.584 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 13.2 m -52.48 138.43 27.63 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.9 mtm105 -112.69 121.59 45.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.559 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.68 153.24 39.2 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 107.4 2.47 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.487 1.783 . . . . 0.0 111.037 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.466 HG23 ' CG1' ' A' ' 48' ' ' VAL . 51.6 t -91.19 116.48 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.9 tp -42.81 152.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -165.79 101.63 0.68 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.1 mtt85 -87.23 105.41 17.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.452 1.095 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -67.48 178.76 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -49.49 -52.45 29.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 110.247 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.483 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 49.6 m-20 -51.95 -23.13 4.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.452 1.095 . . . . 0.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 26.9 t30 81.32 48.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 28' ' ' GLU . 31.4 mt-10 -107.88 107.97 18.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.438 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 7.4 p-10 -53.72 93.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 26' ' ' GLU . 6.5 tt0 -92.43 163.11 13.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.424 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 96.4 m95 -137.17 65.04 49.77 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 108.022 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.424 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -75.01 148.54 35.38 Favored 'Trans proline' 0 C--N 1.358 1.07 0 O-C-N 124.493 1.786 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.454 HD12 ' CD1' ' A' ' 51' ' ' ILE . 0.5 OUTLIER -59.64 129.89 44.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.424 ' N ' HD13 ' A' ' 31' ' ' LEU . . . -136.04 136.2 40.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.077 . . . . 0.0 109.31 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -109.76 134.12 52.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.117 . . . . 0.0 110.234 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.5 mm -65.31 135.62 28.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.458 HD12 ' CD2' ' A' ' 47' ' ' TYR . 48.1 mt -115.33 -49.81 2.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.26 148.16 26.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.986 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.43 HG11 ' N ' ' A' ' 38' ' ' LYS . 90.0 t -110.34 167.57 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.43 ' N ' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -159.26 -178.96 7.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.206 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.456 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 2.4 t0 -161.22 124.92 3.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.085 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.3 mt -128.83 72.19 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.8 52.51 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.99 -24.23 14.05 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.135 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.467 ' CD ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -79.33 86.33 5.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 110.293 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 2.8 mtmt -72.9 128.55 35.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.467 HD12 ' CD ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -110.21 142.28 41.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 44' ' ' LYS . 13.4 m-85 -135.76 127.28 28.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.458 ' CD2' HD12 ' A' ' 35' ' ' LEU . 6.9 t80 -87.27 97.6 10.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.45 1.094 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.466 ' CG1' HG23 ' A' ' 18' ' ' VAL . 31.4 m -97.44 164.25 2.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.416 ' O ' ' N ' ' A' ' 51' ' ' ILE . 9.2 t60 -136.68 115.99 12.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.665 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -65.86 73.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 111.056 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.454 ' CD1' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.551 0 O-C-N 124.525 1.141 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.447 ' CE3' ' HB3' ' A' ' 45' ' ' LEU . 85.3 m95 -75.46 158.84 32.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 108.018 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.438 HG12 ' CG1' ' A' ' 18' ' ' VAL . 34.2 m -148.58 -171.65 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.6 p -123.53 167.8 13.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.423 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -61.49 -35.68 78.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.182 . . . . 0.0 109.623 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -50.66 -39.22 50.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.24 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 35.1 mtt85 -78.53 -31.71 47.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.457 HD13 ' CD1' ' A' ' 46' ' ' PHE . 25.3 mt -68.43 111.42 4.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.373 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.404 ' C ' ' N ' ' A' ' 69' ' ' LYS . 19.2 t0 -96.25 73.41 2.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.9 mt -50.71 -22.18 1.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 67' ' ' ASP . 13.7 mttt -64.75 -10.88 30.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -131.34 14.19 5.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.431 HD13 ' CE1' ' A' ' 73' ' ' PHE . 0.2 OUTLIER -54.78 165.72 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 73' ' ' PHE . 25.1 mt-30 -154.08 61.94 0.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.584 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 31.0 m-85 -37.2 152.77 0.11 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.398 1.061 . . . . 0.0 110.98 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.472 1.775 . . . . 0.0 111.012 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 98.16 -74.83 0.59 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -138.23 126.16 22.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 0.77 . . . . 0.0 110.32 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.401 HD13 ' CD2' ' A' ' 68' ' ' LEU . 13.2 mm -77.21 114.31 17.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 109.185 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.501 ' CD1' ' O ' ' A' ' 12' ' ' GLU . 1.3 pp -116.31 169.14 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.501 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 76.3 mt-10 -73.19 123.44 23.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.41 -27.64 6.86 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.412 1.07 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.532 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 19.6 m -54.28 137.32 41.68 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.7 mtm105 -113.24 121.69 45.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.56 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -149.11 154.53 39.44 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.27 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 113.92 3.9 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.478 1.778 . . . . 0.0 110.947 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.456 HG21 ' CG2' ' A' ' 48' ' ' VAL . 69.5 t -94.9 111.05 24.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.26 133.71 55.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.555 ' HD3' ' CD1' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -157.29 72.44 0.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.336 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 20' ' ' ARG . 88.1 mtt180 -37.28 138.09 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 25' ' ' ASN . 7.0 p30 -99.42 179.79 4.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.434 ' C ' ' N ' ' A' ' 25' ' ' ASN . 2.2 tt0 -43.55 -62.8 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 110.31 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.49 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 92.1 m-20 -43.3 -27.82 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 4.5 t30 81.6 44.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -110.88 102.3 10.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 110.243 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.436 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 5.8 p-10 -40.39 104.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -96.82 172.8 7.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.428 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 98.0 m95 -149.2 64.7 7.56 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 107.995 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -74.99 146.04 32.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.445 1.761 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.472 HD13 ' CD1' ' A' ' 51' ' ' ILE . 0.5 OUTLIER -61.24 131.04 49.13 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.574 1.171 . . . . 0.0 109.348 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.421 ' N ' HD11 ' A' ' 31' ' ' LEU . . . -135.96 145.37 46.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -116.66 134.96 54.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mm -67.67 138.79 22.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 47.5 mt -118.5 -46.41 2.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.72 147.97 23.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.419 ' CG1' ' N ' ' A' ' 38' ' ' LYS . 64.1 t -110.5 168.46 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.478 ' HE3' ' CD1' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -162.35 -176.7 5.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.465 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.8 OUTLIER -161.33 122.39 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.478 ' CD1' ' HE3' ' A' ' 38' ' ' LYS . 83.2 mt -140.11 107.1 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.11 54.26 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.006 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 64.11 10.48 40.72 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.429 1.081 . . . . 0.0 111.017 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.501 ' CD ' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -107.98 101.22 10.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.52 0.776 . . . . 0.0 110.327 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.588 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -77.81 130.16 36.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.354 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.501 ' CD1' ' CD ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -107.39 153.12 23.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.588 ' CZ ' ' HB3' ' A' ' 44' ' ' LYS . 26.7 m-85 -147.04 116.33 6.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.952 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -79.44 94.18 5.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.976 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.456 ' CG2' HG21 ' A' ' 18' ' ' VAL . 18.7 m -96.62 158.32 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.412 1.07 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -127.93 118.21 23.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.626 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.555 ' CD1' ' HD3' ' A' ' 20' ' ' ARG . 46.0 m-85 -65.6 96.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.472 ' CD1' HD13 ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.439 ' CE3' ' HB3' ' A' ' 45' ' ' LEU . 92.8 m95 -81.08 143.68 32.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 107.946 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.414 HG11 ' CG1' ' A' ' 18' ' ' VAL . 34.8 m -138.93 177.65 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 53.2 p -110.14 176.83 4.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.349 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.535 ' CD2' ' O ' ' A' ' 63' ' ' HIS . 4.7 t-160 -74.89 -19.01 60.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 109.644 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -61.91 -38.9 90.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 110.352 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -84.78 -22.41 29.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.57 HD12 ' CD1' ' A' ' 46' ' ' PHE . 76.5 mt -71.27 98.11 1.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 67' ' ' ASP . 19.4 t0 -85.55 75.59 10.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.463 ' CD2' HD21 ' A' ' 16' ' ' LEU . 4.1 mt -55.01 -18.98 5.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.237 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -68.64 -8.03 38.51 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -133.39 17.42 4.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -59.35 161.95 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 73' ' ' PHE . 7.0 mt-30 -149.1 61.77 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.532 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 28.2 m-85 -36.01 153.35 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.169 . . . . 0.0 111.031 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.194 0 O-C-N 124.5 1.79 . . . . 0.0 111.025 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -38.96 -76.84 0.07 OUTLIER Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -135.89 130.07 33.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 0.0 110.292 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.7 mm -70.59 108.39 2.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.47 ' C ' ' CD1' ' A' ' 11' ' ' ILE . 1.4 pp -108.52 166.75 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -70.83 124.51 24.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.43 -29.4 5.7 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.547 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 18.9 m -52.86 137.63 31.65 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -114.67 120.73 41.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.556 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -149.46 155.71 39.2 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 118.18 5.17 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.541 1.811 . . . . 0.0 110.992 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.475 HG21 ' CG2' ' A' ' 48' ' ' VAL . 70.2 t -97.01 107.63 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 18' ' ' VAL . 9.8 tp -39.83 151.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.402 1.064 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.4 ' HA ' ' NH1' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -169.87 111.45 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.219 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.7 mtt85 -88.81 101.57 14.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.409 1.068 . . . . 0.0 110.312 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 25' ' ' ASN . 22.8 m-80 -59.79 179.56 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -50.95 -44.25 60.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.357 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 5.9 m-20 -60.14 -21.01 61.09 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.51 1.132 . . . . 0.0 109.315 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.462 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 1.5 t-20 79.53 40.34 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -103.22 104.53 14.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.44 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 5.0 p-10 -47.3 102.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -96.27 171.52 8.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.266 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.425 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.5 m95 -146.49 64.68 9.73 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 107.991 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.425 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -74.95 147.53 34.28 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.476 1.777 . . . . 0.0 111.03 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 32' ' ' ALA . 0.5 OUTLIER -65.86 133.77 51.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.08 . . . . 0.0 109.283 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.413 ' N ' HD12 ' A' ' 31' ' ' LEU . . . -138.31 149.41 45.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.366 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -117.63 131.42 56.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 110.309 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mm -65.83 136.55 26.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.363 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 39.2 mt -117.73 -43.34 2.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.88 147.88 18.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.037 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' A' ' 38' ' ' LYS . 66.1 t -110.34 168.93 3.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.607 1.192 . . . . 0.0 109.227 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -159.43 -178.23 6.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.443 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 1.1 t70 -162.82 124.05 2.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.464 1.102 . . . . 0.0 109.362 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.1 mt -127.5 77.14 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.32 43.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.974 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.38 -29.54 11.7 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.526 1.141 . . . . 0.0 110.958 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.484 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -72.59 85.58 1.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.595 0.821 . . . . 0.0 110.316 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -72.6 125.49 27.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.484 HD13 ' CD ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -108.69 141.34 40.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 44' ' ' LYS . 14.7 m-85 -134.31 121.04 20.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -80.36 88.32 5.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.936 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.475 ' CG2' HG21 ' A' ' 18' ' ' VAL . 14.5 m -95.49 138.19 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.385 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -110.15 115.74 30.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.621 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -60.22 133.94 56.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.573 1.171 . . . . 0.0 111.002 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 90.3 m95 -74.17 141.52 45.52 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.521 1.138 . . . . 0.0 107.945 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 6.1 m -143.05 168.57 13.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.57 1.169 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.9 p -96.26 -159.05 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.413 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.607 ' CD2' ' O ' ' A' ' 63' ' ' HIS . 6.2 t-160 -100.14 -11.05 20.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.623 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -70.01 -34.13 72.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.302 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -85.1 -27.46 26.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 110.26 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 74.4 mt -65.23 112.38 3.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.402 ' C ' ' N ' ' A' ' 69' ' ' LYS . 8.8 t0 -100.03 73.35 1.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.348 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.474 ' CD2' HD23 ' A' ' 16' ' ' LEU . 3.9 mt -51.44 -21.37 2.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 67' ' ' ASP . 2.5 mttt -66.76 -9.64 38.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.592 1.182 . . . . 0.0 109.257 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -133.59 21.62 3.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.429 HG13 ' CG ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -65.19 167.14 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' PHE . 37.1 mt-30 -154.31 61.87 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.286 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.547 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 29.2 m-85 -36.5 152.58 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.103 0 O-C-N 124.505 1.792 . . . . 0.0 110.99 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -37.71 -77.95 0.05 OUTLIER Glycine 0 CA--C 1.531 1.077 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -136.47 131.3 33.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 0.796 . . . . 0.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.2 mm -67.21 103.66 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.9 pp -99.6 170.06 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -75.52 123.14 24.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.583 1.177 . . . . 0.0 110.32 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.06 -33.73 4.28 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.565 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 17.6 m -47.17 139.66 5.85 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.7 mtm105 -115.98 121.31 41.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.552 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -147.4 155.44 46.0 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 107.85 2.58 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.452 1.764 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.404 ' CG2' ' HB2' ' A' ' 32' ' ' ALA . 56.6 t -92.08 117.19 34.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.8 tp -43.07 130.6 4.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.343 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.0 ttt-85 -145.74 96.63 2.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.25 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.9 mtm-85 -59.26 164.02 3.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.575 1.172 . . . . 0.0 110.248 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -120.97 179.9 4.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -61.92 -16.77 53.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.49 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 2.1 m-20 -99.48 -8.07 25.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 2.2 t-20 80.83 30.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 28' ' ' GLU . 8.4 mt-10 -85.83 100.89 12.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -52.31 92.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' GLU . 13.4 tt0 -86.23 169.23 13.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.363 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.404 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 95.8 m95 -140.86 66.08 25.42 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 107.984 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.404 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -75.03 154.73 42.57 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.577 1.83 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.447 HD12 ' CD1' ' A' ' 51' ' ' ILE . 0.6 OUTLIER -67.48 127.87 34.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.335 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.404 ' HB2' ' CG2' ' A' ' 18' ' ' VAL . . . -132.17 142.94 49.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -113.03 140.65 47.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.348 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.3 mm -73.04 143.68 13.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 35.8 mt -124.46 -49.38 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.57 144.05 21.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.072 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.44 ' CG1' ' N ' ' A' ' 38' ' ' LYS . 86.3 t -106.78 168.16 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.613 1.196 . . . . 0.0 109.294 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.44 ' N ' ' CG1' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -157.61 -178.31 7.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.243 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.456 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 1.0 OUTLIER -161.03 124.28 3.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.9 mt -129.11 73.23 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 72.34 50.41 0.2 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.458 1.099 . . . . 0.0 110.041 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.84 -26.67 11.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.458 1.098 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.466 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -75.91 82.53 2.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 110.327 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 2.7 mtmt -70.73 123.61 22.32 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.466 HD13 ' CD ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -104.86 151.27 24.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.558 ' CZ ' ' HB3' ' A' ' 44' ' ' LYS . 20.6 m-85 -143.75 123.67 13.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -81.67 93.97 6.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.173 . . . . 0.0 110.957 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 18.7 m -95.79 152.66 3.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -129.19 115.95 18.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.588 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -60.83 124.47 20.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.447 ' CD1' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -77.11 147.46 36.6 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.5 m -139.03 177.47 4.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.237 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 27.9 p -106.51 -159.72 0.71 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.513 1.133 . . . . 0.0 110.453 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.613 ' CD2' ' O ' ' A' ' 63' ' ' HIS . 4.0 t-160 -97.78 -8.78 27.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.612 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -77.25 -36.16 54.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 110.241 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.8 mtt85 -75.76 -28.53 58.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.442 ' HB3' ' CD2' ' A' ' 16' ' ' LEU . 20.3 mt -67.59 129.41 39.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.413 ' C ' ' N ' ' A' ' 69' ' ' LYS . 10.2 t0 -114.71 72.45 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.418 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 1.5 mt -50.72 -21.16 1.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.241 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.413 ' N ' ' C ' ' A' ' 67' ' ' ASP . 12.5 mttt -62.82 -11.75 20.03 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -133.95 12.33 3.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -47.94 168.54 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -155.43 61.04 0.62 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.565 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 31.8 m-85 -38.37 155.21 0.12 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.176 0 O-C-N 124.536 1.809 . . . . 0.0 111.022 -179.983 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -37.87 -72.57 0.17 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -138.31 131.81 30.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 0.762 . . . . 0.0 110.312 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.417 HD11 ' CD2' ' A' ' 68' ' ' LEU . 11.9 mm -69.77 107.01 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.409 ' CD1' ' O ' ' A' ' 12' ' ' GLU . 1.6 pp -106.4 168.54 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.406 1.066 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.409 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 49.9 mt-10 -72.51 123.94 24.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.17 -29.26 6.03 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.523 1.139 . . . . 0.0 111.043 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.416 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 33.0 m -51.78 134.96 30.29 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.459 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 4.1 mtt180 -113.51 123.01 48.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.563 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -149.17 154.06 38.67 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.196 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 110.37 3.1 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.453 1.765 . . . . 0.0 110.973 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.427 HG13 ' N ' ' A' ' 19' ' ' LEU . 72.0 t -90.25 144.14 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.427 ' N ' HG13 ' A' ' 18' ' ' VAL . 14.2 tp -70.74 145.47 50.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -161.76 105.55 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.232 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 26.8 mtt180 -90.04 105.52 17.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.288 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -66.39 178.52 1.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -40.17 61.49 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.459 1.1 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 4.2 m-20 -62.61 -18.07 61.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.163 . . . . 0.0 109.348 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 6.8 t30 81.82 26.85 0.18 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.411 1.069 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 28' ' ' GLU . 29.6 mt-10 -92.28 100.34 12.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.266 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -46.81 95.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 26' ' ' GLU . 36.1 tt0 -87.55 152.74 21.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.601 1.188 . . . . 0.0 110.257 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.427 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 62.6 m95 -134.5 64.8 65.59 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 108.024 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -74.95 135.1 18.73 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.47 1.774 . . . . 0.0 111.066 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.459 ' CD1' ' HD3' ' A' ' 15' ' ' ARG . 0.8 OUTLIER -49.81 125.31 11.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.438 ' N ' HD11 ' A' ' 31' ' ' LEU . . . -128.91 158.11 39.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -127.03 135.37 50.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.0 mm -67.94 142.24 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.352 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.402 ' O ' ' OE1' ' A' ' 12' ' ' GLU . 28.8 mt -124.39 -47.65 1.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.7 146.64 26.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.956 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.421 HG13 ' N ' ' A' ' 38' ' ' LYS . 59.6 t -111.66 167.78 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.472 ' HE3' ' CD1' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -161.24 179.52 8.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.461 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.8 OUTLIER -156.35 122.25 4.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.253 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.472 ' CD1' ' HE3' ' A' ' 38' ' ' LYS . 88.7 mt -143.71 116.53 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 55.17 47.59 21.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.19 6.71 48.27 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.454 1.096 . . . . 0.0 110.951 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.578 ' CD ' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -104.18 101.38 11.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 0.785 . . . . 0.0 110.324 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.581 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -76.4 127.12 32.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.578 ' CD1' ' CD ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -105.22 145.86 30.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.378 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.581 ' CZ ' ' HB3' ' A' ' 44' ' ' LYS . 27.8 m-85 -139.6 121.55 15.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -80.82 91.53 5.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.472 HG21 ' CG2' ' A' ' 61' ' ' VAL . 14.8 m -96.26 155.36 3.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 33.9 t60 -113.85 115.13 27.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 0.0 109.592 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -63.16 88.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 111.028 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.2 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.231 -179.963 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 64.4 m95 -83.05 148.15 27.71 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.472 ' CG2' HG21 ' A' ' 48' ' ' VAL . 29.2 m -136.94 -173.81 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.221 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 35.6 p -119.04 174.53 6.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 110.421 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.439 ' O ' ' N ' ' A' ' 66' ' ' LEU . 2.2 t-160 -68.6 -43.7 75.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.606 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.97 -32.59 6.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.0 mtt85 -82.18 -28.24 32.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 63' ' ' HIS . 50.1 mt -70.62 123.79 22.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -106.45 74.03 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.425 HD23 ' N ' ' A' ' 68' ' ' LEU . 3.2 mt -53.39 -20.52 4.63 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -67.31 -9.46 41.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -135.78 25.35 3.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.409 HG13 ' CG ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -68.36 159.9 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 73' ' ' PHE . 32.8 mt-30 -145.01 63.78 1.29 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.416 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 23.7 m-85 -37.44 154.01 0.11 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.538 1.809 . . . . 0.0 110.97 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -37.65 -78.94 0.04 OUTLIER Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -137.22 132.07 33.33 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.544 0.79 . . . . 0.0 110.333 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.444 HD12 ' CD2' ' A' ' 68' ' ' LEU . 9.0 mm -68.82 108.64 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.415 ' CD1' ' O ' ' A' ' 12' ' ' GLU . 1.5 pp -108.13 168.2 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.371 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.415 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 77.5 mt-10 -72.36 123.77 23.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.97 -30.03 5.81 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.424 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 20.0 m -49.89 136.19 18.62 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.4 mtm105 -114.13 120.23 39.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.143 . . . . 0.0 110.368 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.541 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -147.35 154.27 45.31 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 106.5 2.29 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.541 1.811 . . . . 0.0 110.981 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 52.5 t -89.59 113.03 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.283 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.4 tp -41.43 136.99 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -143.56 105.39 4.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -89.29 95.93 10.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' A' ' 25' ' ' ASN . 17.1 m-80 -60.74 176.59 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.42 -46.75 47.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.339 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.475 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 16.9 m-20 -57.65 -20.8 35.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 2.5 t-20 80.51 38.17 0.09 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.522 1.139 . . . . 0.0 109.354 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 28' ' ' GLU . 31.9 mt-10 -96.23 104.14 16.08 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.444 1.09 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -53.02 91.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 0.0 109.364 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' GLU . 28.4 tt0 -92.09 168.66 11.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.418 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 99.2 m95 -136.92 64.87 50.94 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 107.949 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.1 Cg_endo -75.02 144.34 30.06 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.416 1.745 . . . . 0.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.424 HD12 ' N ' ' A' ' 32' ' ' ALA . 0.5 OUTLIER -60.39 133.92 56.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.274 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.424 ' N ' HD12 ' A' ' 31' ' ' LEU . . . -136.51 144.22 44.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -117.06 130.16 56.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.262 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mm -64.28 138.2 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 35.3 mt -119.75 -45.63 2.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.29 146.53 21.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.007 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.438 ' CG1' ' N ' ' A' ' 38' ' ' LYS . 87.0 t -108.05 168.01 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.438 ' N ' ' CG1' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -159.82 -175.85 5.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.17 . . . . 0.0 109.266 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.446 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 1.0 OUTLIER -163.99 121.86 1.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.6 mt -124.65 77.06 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.4 49.88 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.416 1.073 . . . . 0.0 110.062 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.44 -22.02 32.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.465 ' CD ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -79.93 87.3 5.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 0.786 . . . . 0.0 110.303 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.589 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -72.53 126.05 28.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.465 HD12 ' CD ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -109.14 139.54 43.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.589 ' CZ ' ' HB3' ' A' ' 44' ' ' LYS . 20.8 m-85 -132.87 115.65 15.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.943 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -75.45 99.16 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 111.053 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.452 HG23 ' CG1' ' A' ' 61' ' ' VAL . 10.0 m -99.97 165.7 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -131.28 115.83 16.81 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.574 1.171 . . . . 0.0 109.636 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -69.57 73.96 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 111.054 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.226 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 90.0 m95 -79.11 152.54 30.73 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.452 ' CG1' HG23 ' A' ' 48' ' ' VAL . 15.9 m -146.07 -177.77 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.077 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 73.4 p -117.87 178.16 4.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 110.361 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.435 ' CD2' ' O ' ' A' ' 63' ' ' HIS . 5.9 t-160 -74.56 -26.18 59.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.598 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -58.35 -36.12 72.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.417 1.073 . . . . 0.0 110.272 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.401 ' NH1' ' HA ' ' A' ' 61' ' ' VAL . 0.7 OUTLIER -85.78 -23.04 27.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.29 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.481 ' CD2' HD23 ' A' ' 16' ' ' LEU . 73.5 mt -70.71 108.54 4.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.406 ' O ' ' OD1' ' A' ' 67' ' ' ASP . 19.9 t0 -97.43 76.96 2.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.473 ' CD2' HD21 ' A' ' 16' ' ' LEU . 2.8 mt -56.71 -18.1 11.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -68.45 -8.8 43.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -135.16 18.64 3.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.418 HG13 ' CG ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -59.78 169.17 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 73' ' ' PHE . 9.0 mt-30 -155.36 61.95 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.424 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 30.5 m-85 -36.46 153.21 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.185 0 O-C-N 124.498 1.788 . . . . 0.0 111.03 179.95 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -37.78 -76.75 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.051 -0.819 . . . . 0.0 111.051 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -137.01 130.63 31.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.426 HD11 ' CD2' ' A' ' 68' ' ' LEU . 11.9 mm -70.08 106.28 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.425 ' CD1' ' O ' ' A' ' 12' ' ' GLU . 1.5 pp -103.78 167.47 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.376 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.425 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 78.4 mt-10 -72.47 123.67 23.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.258 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.41 -28.66 5.94 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.507 1.13 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.588 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 21.0 m -52.65 137.47 30.79 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -114.37 120.72 41.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.266 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.555 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.59 155.83 41.86 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 107.88 2.59 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.546 1.814 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.419 ' CG1' HG11 ' A' ' 61' ' ' VAL . 50.8 t -89.84 112.56 24.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.517 1.135 . . . . 0.0 109.343 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 18' ' ' VAL . 8.4 tp -39.92 150.02 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -164.93 107.27 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 72.8 mtt-85 -89.77 102.76 15.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -57.35 173.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -57.51 -17.27 12.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.328 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 13.6 m-20 -81.04 -16.64 52.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.237 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 14.6 t-20 81.17 30.88 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -100.7 100.46 11.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.432 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 4.9 p-10 -48.42 108.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -100.59 172.38 7.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 110.29 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.455 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 98.1 m95 -147.78 63.54 7.73 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.481 1.113 . . . . 0.0 108.03 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.455 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.2 Cg_endo -74.99 154.26 42.39 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.513 1.796 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.423 HD12 ' N ' ' A' ' 32' ' ' ALA . 0.5 OUTLIER -69.78 127.07 31.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.423 ' N ' HD12 ' A' ' 31' ' ' LEU . . . -132.85 147.22 52.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.378 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -114.66 133.94 55.46 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.567 1.167 . . . . 0.0 110.304 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 mm -66.42 136.22 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 55.4 mt -115.7 -52.78 2.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.403 1.065 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.33 143.11 22.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.022 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.453 ' CG1' ' N ' ' A' ' 38' ' ' LYS . 93.4 t -104.52 167.47 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.453 ' N ' ' CG1' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -157.94 179.96 8.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.407 1.067 . . . . 0.0 109.353 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.456 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.2 OUTLIER -159.6 124.45 4.01 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.9 mt -128.93 74.57 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.08 52.94 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.039 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.03 -25.31 10.2 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.399 1.062 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.47 ' CD ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -78.33 87.61 4.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.777 . . . . 0.0 110.323 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 2.3 mtmt -74.16 130.82 40.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.47 HD12 ' CD ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -112.36 145.59 39.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 44' ' ' LYS . 10.1 m-85 -139.0 119.88 14.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 111.03 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -78.86 91.19 4.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.461 ' CG2' HG22 ' A' ' 61' ' ' VAL . 6.4 m -96.85 153.89 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.36 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -126.93 116.28 20.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 109.614 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -62.41 109.69 1.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.157 . . . . 0.0 110.96 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.418 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -82.32 134.89 35.28 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.461 HG22 ' CG2' ' A' ' 48' ' ' VAL . 25.3 m -129.26 -177.67 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.0 p -114.0 -178.03 3.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.43 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.442 ' O ' ' N ' ' A' ' 66' ' ' LEU . 3.9 t-160 -76.73 -40.51 48.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.573 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -49.35 -28.78 5.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.356 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 27.9 mtt85 -86.49 -25.31 25.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.257 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.466 HD11 ' CD1' ' A' ' 46' ' ' PHE . 66.7 mt -71.99 117.22 13.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.406 ' C ' ' N ' ' A' ' 69' ' ' LYS . 8.6 t0 -102.07 72.12 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.457 ' CD2' HD22 ' A' ' 16' ' ' LEU . 3.9 mt -50.71 -21.89 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 67' ' ' ASP . 1.9 mttt -65.4 -10.22 31.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -135.19 25.87 3.53 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.564 1.165 . . . . 0.0 109.254 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.436 HD12 ' CE1' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -68.78 165.42 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -152.72 62.93 0.8 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.14 . . . . 0.0 110.272 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.588 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 29.6 m-85 -37.88 152.43 0.14 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.547 1.814 . . . . 0.0 110.976 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -40.76 -78.14 0.06 OUTLIER Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -136.82 131.39 33.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 0.807 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.446 HD13 ' CD2' ' A' ' 68' ' ' LEU . 11.2 mm -67.65 111.6 2.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.6 pp -111.85 168.52 4.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.627 1.205 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -72.65 123.19 22.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.254 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.25 -32.55 4.86 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.605 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 16.5 m -49.01 138.63 11.42 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.443 ' CD ' HD13 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -114.35 123.14 48.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.234 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.562 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -149.02 151.98 35.62 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.586 1.179 . . . . 0.0 109.342 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 111.14 3.26 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.487 1.783 . . . . 0.0 110.959 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.441 ' CG1' HG12 ' A' ' 61' ' ' VAL . 54.6 t -91.52 115.45 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.463 ' HB3' ' CG ' ' A' ' 65' ' ' ARG . 12.6 tp -41.95 144.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -164.07 114.39 1.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.263 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.3 mtt85 -89.36 105.19 17.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -65.1 178.78 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.0 -57.91 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.256 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.478 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 0.9 OUTLIER -47.58 -25.17 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.478 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 23.5 t30 81.42 43.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 27' ' ' ASP . 34.8 mt-10 -108.35 104.97 14.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.245 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 8.1 p-10 -40.01 103.06 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -96.36 171.32 8.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.441 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.9 m95 -146.11 64.28 9.79 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 107.993 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.441 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -75.11 147.95 34.2 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.537 1.809 . . . . 0.0 110.998 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.443 HD13 ' CD ' ' A' ' 15' ' ' ARG . 0.6 OUTLIER -63.74 130.37 43.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.415 ' N ' HD12 ' A' ' 31' ' ' LEU . . . -135.11 145.87 48.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.603 1.189 . . . . 0.0 109.238 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -114.02 137.96 51.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.248 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.6 mm -69.97 145.0 13.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.36 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.1 mt -125.6 -52.21 1.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.79 147.46 28.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 110.03 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 38' ' ' LYS . 62.8 t -111.06 168.82 4.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.422 ' N ' ' CG1' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -161.52 -178.84 6.87 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.449 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.6 OUTLIER -161.21 124.3 3.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.395 1.06 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.7 mt -127.65 71.38 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.7 53.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.41 -26.35 9.24 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.565 1.166 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.484 ' CD ' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -77.58 85.51 3.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 110.332 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.588 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -72.77 128.48 35.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.484 ' CD1' ' CD ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -109.6 140.19 43.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.588 ' CZ ' ' HB3' ' A' ' 44' ' ' LYS . 21.6 m-85 -133.76 119.71 19.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -80.06 91.52 5.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 111.053 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.433 HG11 ' CG2' ' A' ' 61' ' ' VAL . 5.2 m -95.47 160.8 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -133.93 115.5 14.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.635 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -62.05 118.95 7.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.094 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.428 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 45.3 m95 -81.37 144.96 31.08 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.441 HG12 ' CG1' ' A' ' 18' ' ' VAL . 16.1 m -133.39 -171.62 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.246 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.4 p -123.12 169.58 11.08 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.385 1.053 . . . . 0.0 110.377 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 66' ' ' LEU . 3.7 t-160 -60.32 -45.12 94.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.578 1.174 . . . . 0.0 109.641 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -46.7 -32.84 3.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 110.234 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.463 ' CG ' ' HB3' ' A' ' 19' ' ' LEU . 7.2 mtt180 -83.72 -28.94 27.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.239 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 63' ' ' HIS . 46.2 mt -72.37 117.47 14.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.367 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -104.35 73.23 1.1 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.447 ' CD2' HD21 ' A' ' 16' ' ' LEU . 3.3 mt -52.01 -21.27 2.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -67.22 -9.57 41.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -133.79 18.02 3.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.357 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.443 HD11 ' CE1' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -59.01 168.25 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 73' ' ' PHE . 15.4 mt-30 -154.88 61.64 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.321 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.605 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 30.4 m-85 -37.19 152.44 0.12 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.953 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.359 1.125 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -37.71 -80.7 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -134.79 128.85 33.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 0.749 . . . . 0.0 110.28 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.444 HD13 ' CD1' ' A' ' 71' ' ' ILE . 6.6 mm -66.38 113.9 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.7 pp -115.75 170.24 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -73.27 123.36 23.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.256 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.48 -27.48 6.9 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.529 1.143 . . . . 0.0 110.966 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.578 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 19.9 m -52.21 138.28 26.45 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.401 ' CD ' HD12 ' A' ' 31' ' ' LEU . 3.3 mtm105 -116.05 121.29 41.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.551 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -147.61 154.83 45.08 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 107.82 2.57 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.436 1.756 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 49.6 t -90.85 111.47 23.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.406 1.067 . . . . 0.0 109.267 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.6 tp -43.31 143.72 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.356 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -155.99 106.18 2.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.5 mtt180 -86.92 103.04 14.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.368 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -66.58 179.44 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -50.9 -47.62 60.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 14.1 m-20 -54.62 -26.28 31.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 4.3 t30 81.45 43.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -105.82 100.69 10.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 1.068 . . . . 0.0 110.328 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.448 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 8.4 p-10 -44.22 100.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -97.42 171.71 8.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.432 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.8 m95 -147.32 64.69 8.94 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 107.979 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.432 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.1 Cg_endo -75.04 153.44 41.58 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.467 1.772 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.416 HD11 ' N ' ' A' ' 32' ' ' ALA . 0.5 OUTLIER -68.83 128.4 36.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.416 ' N ' HD11 ' A' ' 31' ' ' LEU . . . -133.13 146.78 51.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -114.39 137.47 51.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 110.241 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.8 mm -71.23 133.26 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.2 mt -113.02 -57.34 2.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.74 144.48 31.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.04 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.469 HG12 ' CE2' ' A' ' 46' ' ' PHE . 72.6 t -107.75 168.59 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.452 ' CD ' HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -159.03 -179.27 7.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 0.0 109.308 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.471 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.3 OUTLIER -157.26 118.14 3.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.452 HD12 ' CD ' ' A' ' 38' ' ' LYS . 26.1 mm -123.1 86.16 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.71 51.92 4.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 110.002 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.25 -23.83 16.57 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.555 1.159 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.501 ' CD ' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -78.71 91.95 4.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 0.789 . . . . 0.0 110.268 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 1.7 mtmt -76.55 125.8 29.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.501 ' CD1' ' CD ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -104.75 154.24 20.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.574 ' CZ ' ' HB3' ' A' ' 44' ' ' LYS . 27.8 m-85 -147.1 120.63 9.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -81.17 93.41 6.46 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.458 HG13 ' CG2' ' A' ' 61' ' ' VAL . 21.8 m -95.62 153.47 3.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -127.61 115.91 19.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 109.591 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -59.76 121.37 11.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.957 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.413 ' CD1' HD13 ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 63.3 m95 -74.56 153.49 39.02 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.458 ' CG2' HG13 ' A' ' 48' ' ' VAL . 19.2 m -143.14 -174.84 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.5 p -118.96 -179.76 3.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.427 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.427 ' O ' ' N ' ' A' ' 66' ' ' LEU . 0.8 OUTLIER -73.46 -41.17 63.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.581 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -43.93 -43.68 6.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.278 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -75.67 -31.53 59.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.312 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.47 ' CD2' HD23 ' A' ' 16' ' ' LEU . 36.0 mt -65.71 112.99 3.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.371 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.402 ' C ' ' N ' ' A' ' 69' ' ' LYS . 10.1 t0 -98.63 71.94 1.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.474 ' CD2' HD21 ' A' ' 16' ' ' LEU . 3.6 mt -51.38 -21.36 2.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 67' ' ' ASP . 4.4 mttt -66.23 -9.93 37.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.5 mttp -131.58 13.67 4.95 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.444 ' CD1' HD13 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -54.72 159.91 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 73' ' ' PHE . 31.7 mt-30 -147.39 61.87 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.33 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.578 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 26.9 m-85 -36.73 153.77 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.531 1.806 . . . . 0.0 110.955 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -37.82 -79.76 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -136.97 131.36 32.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 0.796 . . . . 0.0 110.364 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.568 HG21 ' CD2' ' A' ' 46' ' ' PHE . 6.9 mm -67.08 107.24 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.9 pp -105.95 171.34 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -76.31 122.93 25.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.42 -25.68 7.64 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.9 m -53.64 142.59 22.57 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -118.96 120.5 37.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 110.343 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.55 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.06 154.44 42.96 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 107.98 2.61 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.556 1.819 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.7 t -90.43 113.19 26.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.407 1.067 . . . . 0.0 109.267 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.5 tp -45.26 130.23 8.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.502 ' HG3' ' CZ ' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -147.08 111.38 5.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -81.97 109.65 16.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.325 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -72.32 -179.96 3.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.416 1.073 . . . . 0.0 109.248 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.4 ' C ' ' N ' ' A' ' 25' ' ' ASN . 4.5 tp60 -46.6 -58.12 4.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 110.304 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 82.9 m-20 -47.21 -25.22 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 4.0 t-20 82.03 38.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 28' ' ' GLU . 33.2 mt-10 -103.38 107.23 17.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -45.84 95.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 26' ' ' GLU . 12.0 tt0 -91.39 168.97 11.17 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.12 . . . . 0.0 110.307 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.417 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 98.4 m95 -137.85 65.29 45.28 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.417 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -75.06 148.73 35.46 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.451 1.764 . . . . 0.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.37 130.21 42.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 0.0 109.23 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.411 ' CA ' HD13 ' A' ' 51' ' ' ILE . . . -134.69 148.87 50.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -116.84 133.73 55.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.1 mm -65.5 145.26 14.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.3 mt -124.62 -48.4 1.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.89 143.91 20.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 110.043 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 38' ' ' LYS . 67.8 t -108.28 168.23 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.479 ' CD ' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -157.95 -176.35 5.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.473 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.6 OUTLIER -159.41 120.67 3.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 109.312 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.479 HD11 ' CD ' ' A' ' 38' ' ' LYS . 13.0 mm -125.41 91.52 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.24 42.82 17.87 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 109.98 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.86 -24.52 30.69 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.129 . . . . 0.0 111.044 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.479 ' CD ' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -75.72 91.89 2.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 110.291 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.582 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -75.33 125.36 28.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.479 ' CD1' ' CD ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -105.05 154.44 20.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.353 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.582 ' CZ ' ' HB3' ' A' ' 44' ' ' LYS . 21.6 m-85 -147.4 115.81 6.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.999 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -76.88 92.39 3.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.942 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.433 ' CG2' HG23 ' A' ' 61' ' ' VAL . 23.8 m -95.6 148.96 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.566 1.166 . . . . 0.0 109.357 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -125.54 116.16 21.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.581 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.502 ' CZ ' ' HG3' ' A' ' 20' ' ' ARG . 25.2 m-85 -58.2 142.13 48.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.598 1.186 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.411 HD13 ' CA ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -88.92 142.31 27.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 108.015 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.433 HG23 ' CG2' ' A' ' 48' ' ' VAL . 27.5 m -138.48 -176.66 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.35 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.4 p -112.12 177.8 4.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 0.0 110.426 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.571 ' CD2' ' O ' ' A' ' 63' ' ' HIS . 22.6 t-160 -79.49 1.71 24.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.616 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -82.58 -44.11 16.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.241 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.45 -23.62 53.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.42 ' CD2' HD23 ' A' ' 16' ' ' LEU . 38.6 mt -68.34 105.84 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.402 1.064 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.403 ' C ' ' N ' ' A' ' 69' ' ' LYS . 12.3 t0 -92.72 72.58 4.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.27 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.412 ' CD2' HD21 ' A' ' 16' ' ' LEU . 3.7 mt -51.27 -21.52 2.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 67' ' ' ASP . 8.3 mttt -66.64 -9.6 37.44 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.553 1.158 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.2 mttp -134.2 21.22 3.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.45 HG13 ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -64.24 162.88 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 109.37 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -148.71 65.25 1.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -38.39 154.22 0.14 Allowed Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.557 1.161 . . . . 0.0 110.951 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.097 0 O-C-N 124.47 1.774 . . . . 0.0 111.006 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.22 142.33 0.35 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 0.785 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.5 p -140.31 165.81 26.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.41 1.069 . . . . 0.0 110.041 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.8 131.67 16.28 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.7 p -151.86 150.43 30.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 0.0 109.995 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.75 114.33 25.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 42.08 45.14 4.95 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -38.08 -75.73 0.08 OUTLIER Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -137.86 131.36 30.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 0.761 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.432 HD13 ' CD2' ' A' ' 68' ' ' LEU . 9.6 mm -69.36 108.24 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.489 ' CD1' ' O ' ' A' ' 12' ' ' GLU . 1.3 pp -106.64 166.68 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.421 1.076 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.489 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 49.4 mt-10 -70.83 124.48 24.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.42 -28.6 6.46 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.5 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 19.6 m -52.13 137.77 27.13 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.54 121.26 42.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.322 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.552 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.92 156.0 40.72 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.237 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 108.35 2.7 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.452 1.764 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.9 t -91.57 112.02 24.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.392 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.9 tp -42.31 144.78 0.45 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -164.96 108.78 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -80.63 107.79 13.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -68.6 177.68 2.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.414 1.071 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.431 ' C ' ' N ' ' A' ' 25' ' ' ASN . 1.3 tt0 -44.72 -62.06 1.35 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 8.4 m-20 -42.6 -28.02 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 21.3 t30 82.9 48.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 27' ' ' ASP . 45.2 mt-10 -114.91 106.28 13.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.425 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 8.7 p-10 -39.92 101.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.61 1.194 . . . . 0.0 109.227 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -96.52 170.97 8.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.366 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.424 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.8 m95 -145.62 65.03 10.99 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.479 1.112 . . . . 0.0 108.008 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.424 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.1 Cg_endo -74.99 154.08 42.28 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.47 1.774 . . . . 0.0 110.946 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.405 ' CD1' HD12 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -71.34 128.16 34.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -133.01 148.68 52.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 109.369 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -115.44 134.65 54.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.4 mm -67.11 139.62 20.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 47.2 mt -119.21 -50.19 2.36 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.31 150.22 30.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.451 ' CG1' ' N ' ' A' ' 38' ' ' LYS . 94.5 t -113.19 167.91 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.451 ' N ' ' CG1' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -160.13 -179.25 7.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.45 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.4 OUTLIER -160.51 124.03 3.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 13.0 mt -127.3 70.28 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.89 53.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.13 -26.46 8.69 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.476 ' CD ' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -77.3 83.77 3.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.75 . . . . 0.0 110.278 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -70.78 129.19 38.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 109.312 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.476 ' CD1' ' CD ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -109.37 144.8 37.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 44' ' ' LYS . 25.7 m-85 -138.47 124.78 20.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 58' ' ' ASP . 7.2 t80 -86.44 93.15 9.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.466 HG11 ' CG2' ' A' ' 61' ' ' VAL . 15.6 m -95.91 154.32 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 30.3 t60 -127.45 115.91 19.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.636 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -58.63 131.26 50.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 111.021 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.405 HD12 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -119.17 88.83 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.264 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 178.55 101.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 42.87 94.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 175.25 153.85 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.386 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.38 -58.97 2.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -175.91 128.94 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.334 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -125.1 -76.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 47' ' ' TYR . 1.8 m-20 61.6 116.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -156.15 151.67 26.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 83.9 m95 -74.81 148.83 39.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 107.974 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.466 ' CG2' HG11 ' A' ' 48' ' ' VAL . 35.2 m -139.72 -171.72 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.3 p -122.57 174.11 7.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.392 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.449 ' O ' ' N ' ' A' ' 66' ' ' LEU . 3.7 t-160 -69.4 -41.01 76.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.649 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -47.42 -32.14 4.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 110.25 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -86.77 -26.28 24.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.58 1.175 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.457 HD11 ' CD1' ' A' ' 46' ' ' PHE . 71.6 mt -71.48 108.87 5.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -94.49 73.62 3.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.432 ' CD2' HD13 ' A' ' 10' ' ' ILE . 4.0 mt -51.82 -21.48 2.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -67.32 -9.14 38.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -134.54 24.24 3.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.436 HG13 ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -68.9 163.76 3.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 73' ' ' PHE . 35.1 mt-30 -150.6 63.69 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.5 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 26.6 m-85 -37.43 153.88 0.11 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.08 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 155.44 42.86 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.534 1.807 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -104.59 72.11 1.02 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.97 129.83 34.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 61.61 145.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.12 141.4 50.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.85 101.45 13.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -162.67 146.8 9.14 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.428 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.87 -165.47 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.501 1.79 . . . . 0.0 111.091 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.28 106.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.95 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -37.9 103.01 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.45 1.093 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 120.58 6.13 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.448 1.762 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.01 137.1 47.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.574 1.171 . . . . 0.0 110.005 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.4 p 61.84 114.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.504 1.127 . . . . 0.0 110.972 -179.983 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -171.42 159.65 5.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.735 . . . . 0.0 110.022 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.72 143.25 43.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.036 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.49 -127.24 2.19 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.454 1.096 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.69 159.48 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 0.757 . . . . 0.0 109.93 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -138.03 -58.92 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.998 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.88 46.64 0.06 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.128 . . . . 0.0 110.996 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -37.68 -79.12 0.04 OUTLIER Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -136.03 129.69 32.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.418 HG21 ' CD2' ' A' ' 46' ' ' PHE . 7.2 mm -66.93 113.68 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.483 ' CD1' ' O ' ' A' ' 12' ' ' GLU . 1.6 pp -115.47 171.94 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.483 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 48.9 mt-10 -73.94 124.67 26.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.33 -30.6 5.95 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.433 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 24.3 m -50.26 135.63 21.15 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.425 ' CD ' HD13 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -113.76 122.86 48.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.107 . . . . 0.0 110.291 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.576 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -149.38 154.58 38.77 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 113.51 3.81 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.48 1.779 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 68.2 t -91.77 107.54 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 tp -40.05 149.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -165.4 108.4 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.428 ' CG ' ' OD1' ' A' ' 27' ' ' ASP . 9.0 mtt180 -83.52 103.26 12.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.348 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -66.73 178.66 1.25 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.416 ' C ' ' N ' ' A' ' 25' ' ' ASN . 36.8 tt0 -46.52 -58.36 3.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.591 1.182 . . . . 0.0 110.258 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 1.2 m-20 -46.76 -25.48 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 3.1 t-20 82.65 38.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 28' ' ' GLU . 32.7 mt-10 -103.25 98.72 8.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.428 ' OD1' ' CG ' ' A' ' 21' ' ' ARG . 29.5 m-20 -40.22 98.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 109.376 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 26' ' ' GLU . 16.5 tt0 -91.31 169.71 10.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.405 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 98.2 m95 -141.31 65.36 21.56 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.405 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.2 Cg_endo -75.06 126.19 9.77 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.464 1.77 . . . . 0.0 110.968 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.425 HD13 ' CD ' ' A' ' 15' ' ' ARG . 1.0 OUTLIER -49.93 150.06 2.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.261 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -153.4 174.55 14.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.26 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -138.53 135.86 35.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.5 mm -71.0 138.16 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.5 mt -117.01 -45.38 2.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.343 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.85 145.38 17.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.95 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 38' ' ' LYS . 97.3 t -107.15 167.94 3.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.404 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.446 ' N ' ' CG1' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -158.49 -177.62 6.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.455 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 1.1 t70 -161.9 124.07 2.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.449 ' CD1' HD22 ' A' ' 45' ' ' LEU . 8.0 mt -126.02 73.74 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.19 51.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.398 1.061 . . . . 0.0 110.015 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.7 -28.91 9.18 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.463 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -75.16 87.75 2.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.601 0.824 . . . . 0.0 110.333 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -74.3 127.55 33.28 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.424 1.077 . . . . 0.0 109.325 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.463 HD13 ' CD ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -107.26 148.29 29.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 44' ' ' LYS . 27.2 m-85 -141.92 113.31 7.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.431 1.082 . . . . 0.0 111.042 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.487 ' CZ ' ' HB3' ' A' ' 58' ' ' ASP . 5.1 t80 -75.03 95.52 3.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.443 HG12 ' CG2' ' A' ' 61' ' ' VAL . 15.9 m -96.0 163.47 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.485 ' CE1' HD21 ' A' ' 57' ' ' LEU . 25.5 t60 -127.25 118.16 23.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.412 1.07 . . . . 0.0 109.618 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -66.6 112.13 3.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -94.15 67.51 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 53' ' ' PHE . 46.1 t0 -169.94 33.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.609 1.193 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.403 ' O ' ' O ' ' A' ' 52' ' ' ASP . 0.1 OUTLIER 50.08 101.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.547 1.154 . . . . 0.0 111.009 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -141.99 140.29 32.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.82 150.18 4.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 42.68 60.27 2.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.423 1.077 . . . . 0.0 110.351 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.485 HD21 ' CE1' ' A' ' 49' ' ' HIS . 2.0 mt -48.87 166.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.487 ' HB3' ' CZ ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER 62.83 119.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 109.241 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -162.17 147.68 12.95 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.507 1.129 . . . . 0.0 110.27 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -78.6 149.28 32.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 107.973 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.443 ' CG2' HG12 ' A' ' 48' ' ' VAL . 34.9 m -141.82 -178.37 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 49.6 p -114.21 176.47 5.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 110.403 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 63' ' ' HIS . 7.0 t-160 -77.1 -13.99 59.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.6 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -68.03 -31.31 70.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -88.99 -28.54 20.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 110.307 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.498 HD11 ' CD1' ' A' ' 46' ' ' PHE . 75.7 mt -63.32 116.34 5.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -103.21 73.36 1.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.112 . . . . 0.0 109.242 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.411 ' CD2' HD22 ' A' ' 16' ' ' LEU . 3.9 mt -51.47 -21.5 2.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.5 mttm -66.0 -10.36 38.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -131.5 14.66 4.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -56.08 159.16 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 73' ' ' PHE . 37.4 mt-30 -146.99 63.27 1.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.247 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.433 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 25.5 m-85 -37.21 152.75 0.11 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 111.004 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 148.98 35.63 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -68.54 119.85 13.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.87 160.86 8.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -112.34 98.44 7.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -163.17 71.23 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.607 1.192 . . . . 0.0 109.274 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.29 -65.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.7 m 63.37 147.18 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.429 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 75.08 3.82 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.463 1.77 . . . . 0.0 110.971 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.9 m -131.25 132.38 44.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -81.94 133.05 11.63 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 96.6 1.02 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.467 1.772 . . . . 0.0 111.071 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.3 p -134.2 98.33 4.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 110.004 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.7 m -61.92 -59.13 5.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.987 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 O-C-N 124.544 1.152 . . . . 0.0 110.945 179.96 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.58 132.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 0.799 . . . . 0.0 110.05 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 m -145.07 107.0 4.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 109.975 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.25 170.63 44.53 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -161.3 156.41 23.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 0.768 . . . . 0.0 110.011 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.78 120.04 40.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 110.019 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.34 52.37 13.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.557 1.161 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -37.99 -81.62 0.02 OUTLIER Glycine 0 CA--C 1.531 1.085 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -138.62 134.34 33.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 0.794 . . . . 0.0 110.292 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.462 ' CD1' HD23 ' A' ' 16' ' ' LEU . 7.1 mm -68.16 108.64 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.403 ' CD1' ' O ' ' A' ' 12' ' ' GLU . 1.8 pp -112.8 170.73 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.403 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 49.2 mt-10 -71.74 122.99 21.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.5 -29.42 6.38 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 110.947 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.47 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 14.8 m -50.93 138.27 19.45 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -116.07 120.04 37.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.54 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -147.68 156.04 44.96 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 107.02 2.39 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.427 1.751 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.41 ' CG1' HG12 ' A' ' 61' ' ' VAL . 50.1 t -90.02 114.45 27.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.443 1.09 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.438 ' HB3' ' CG ' ' A' ' 65' ' ' ARG . 5.3 tp -47.1 149.18 0.98 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.414 1.071 . . . . 0.0 109.201 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 -162.41 106.3 1.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.424 ' NE ' ' OD2' ' A' ' 27' ' ' ASP . 35.6 mtt180 -85.35 103.47 14.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 -66.23 179.16 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -52.04 -48.06 64.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.258 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.477 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 8.3 m-20 -57.57 -22.2 43.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 20.9 t30 80.93 42.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 28' ' ' GLU . 34.3 mt-10 -103.01 89.32 3.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.424 ' OD2' ' NE ' ' A' ' 21' ' ' ARG . 5.1 m-20 -42.64 97.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 26' ' ' GLU . 12.3 tt0 -94.42 169.18 10.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.266 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.427 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.4 m95 -139.14 65.01 35.01 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -74.99 154.5 42.59 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.521 1.8 . . . . 0.0 110.996 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.65 128.97 37.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -133.35 146.36 51.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -113.86 135.41 54.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.246 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.2 mm -68.32 144.05 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 41.2 mt -124.66 -50.71 1.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.7 145.46 25.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.013 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.437 ' CG1' ' N ' ' A' ' 38' ' ' LYS . 89.3 t -110.62 168.0 4.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.437 ' N ' ' CG1' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -160.62 -175.87 5.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.459 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.9 OUTLIER -160.9 119.88 2.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.464 1.103 . . . . 0.0 109.383 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.448 ' CD1' HD23 ' A' ' 45' ' ' LEU . 11.7 mt -121.14 73.11 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 72.5 54.23 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.94 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.14 -28.26 6.85 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.536 1.147 . . . . 0.0 110.949 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.474 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -75.57 84.85 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 0.737 . . . . 0.0 110.321 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.581 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -69.81 126.63 30.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.474 HD13 ' CD ' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -104.88 152.6 22.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.581 ' CZ ' ' HB3' ' A' ' 44' ' ' LYS . 21.3 m-85 -145.5 117.65 8.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -79.2 91.82 5.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.555 1.159 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.439 HG11 ' CG2' ' A' ' 61' ' ' VAL . 11.4 m -95.86 154.7 3.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -130.7 115.86 17.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.616 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -58.82 130.09 45.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.08 19.71 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.305 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.88 163.16 25.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -43.27 129.55 4.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 176.15 165.89 0.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.93 -71.92 0.57 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 110.267 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.3 ttt85 -65.79 140.27 58.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 110.265 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.0 mt -139.97 154.08 47.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 57.26 99.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -158.18 150.86 22.41 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.438 1.086 . . . . 0.0 110.262 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -77.02 139.14 39.97 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.439 ' CG2' HG11 ' A' ' 48' ' ' VAL . 32.6 m -128.75 -171.79 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.2 p -123.11 174.52 7.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.405 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 66' ' ' LEU . 1.2 t-160 -65.78 -44.53 85.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 109.605 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -45.87 -36.78 5.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.292 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.438 ' CG ' ' HB3' ' A' ' 19' ' ' LEU . 2.6 mtt180 -77.55 -31.47 53.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.092 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 63' ' ' HIS . 29.4 mt -69.64 115.17 8.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.41 ' C ' ' N ' ' A' ' 69' ' ' LYS . 5.3 t0 -102.39 72.69 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.351 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.9 mt -50.82 -21.43 1.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.41 ' N ' ' C ' ' A' ' 67' ' ' ASP . 0.8 OUTLIER -65.35 -9.82 27.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.2 mttp -135.44 21.77 3.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.415 HG13 ' CD2' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -63.44 166.06 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 73' ' ' PHE . 14.1 mt-30 -153.3 62.28 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.074 . . . . 0.0 110.331 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.47 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 29.8 m-85 -36.72 153.43 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.936 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 158.31 42.53 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.552 1.817 . . . . 0.0 111.024 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -87.43 146.98 25.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.41 82.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -117.39 171.94 7.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -100.76 136.27 40.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.19 138.98 34.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 68.4 p -77.79 158.18 78.42 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.424 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 130.27 13.15 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.514 1.797 . . . . 0.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.03 146.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.393 1.058 . . . . 0.0 109.992 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -175.52 156.43 21.99 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.56 1.163 . . . . 0.0 110.998 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 163.15 35.97 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.52 1.8 . . . . 0.0 111.005 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.7 t -151.27 151.95 32.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.044 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.2 t -140.07 157.57 45.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.002 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.35 156.45 44.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 0.791 . . . . 0.0 109.988 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.79 129.7 1.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.008 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.55 -173.73 19.14 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.036 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -160.94 162.16 31.89 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 0.758 . . . . 0.0 109.969 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 m -144.51 131.37 20.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.955 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . 39.51 53.57 2.87 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.448 1.093 . . . . 0.0 110.998 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -37.15 -81.14 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -136.33 131.67 34.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 0.747 . . . . 0.0 110.25 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.6 mm -68.13 111.68 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.36 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.469 ' CD1' ' O ' ' A' ' 12' ' ' GLU . 1.5 pp -114.67 172.53 3.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.469 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 61.1 mt-10 -74.5 123.49 24.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.266 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.66 -27.01 7.39 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.46 1.1 . . . . 0.0 110.923 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.539 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 22.0 m -52.89 137.52 32.07 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.5 mtm105 -115.73 120.36 39.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 110.325 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.549 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -147.37 155.67 46.06 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.256 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 108.24 2.67 Favored 'Trans proline' 0 C--N 1.362 1.262 0 O-C-N 124.488 1.783 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 43.4 t -93.69 125.71 46.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 32.0 tp -42.54 145.28 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.4 ttt85 -160.02 100.49 1.4 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.477 1.111 . . . . 0.0 110.274 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -85.44 105.96 16.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -66.94 172.76 4.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -53.75 -25.29 18.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.341 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 4.8 m-20 -74.71 -21.58 59.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.341 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 25.9 t30 81.16 38.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 0.0 109.325 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 28' ' ' GLU . 33.3 mt-10 -106.37 91.88 3.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -41.14 97.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 26' ' ' GLU . 15.6 tt0 -92.76 169.15 10.7 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.462 1.101 . . . . 0.0 110.258 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.449 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.4 m95 -136.21 63.89 51.6 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 107.988 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.449 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.2 Cg_endo -74.98 150.39 38.16 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.491 1.785 . . . . 0.0 110.962 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.414 HD12 ' N ' ' A' ' 32' ' ' ALA . 0.5 OUTLIER -64.02 133.25 52.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.414 ' N ' HD12 ' A' ' 31' ' ' LEU . . . -135.21 143.09 46.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.437 1.086 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -112.79 131.46 55.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mm -67.47 140.66 18.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.494 HD12 ' CD2' ' A' ' 47' ' ' TYR . 37.4 mt -119.62 -53.16 2.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.0 145.18 26.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.957 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.443 ' CG1' ' N ' ' A' ' 38' ' ' LYS . 91.1 t -109.59 167.97 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.459 ' CE ' HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -160.25 -176.37 5.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.472 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -159.62 122.08 3.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.253 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.459 HD12 ' CE ' ' A' ' 38' ' ' LYS . 90.0 mt -141.84 102.99 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.55 47.58 2.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.963 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.27 6.55 47.9 Favored Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.459 1.099 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.521 ' CD ' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -101.73 84.03 2.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 110.325 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -62.66 127.54 31.77 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.407 1.067 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.521 ' CD1' ' CD ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -105.21 154.15 20.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.574 ' CZ ' ' HB3' ' A' ' 44' ' ' LYS . 27.0 m-85 -147.25 116.85 7.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.494 ' CD2' HD12 ' A' ' 35' ' ' LEU . 6.6 t80 -80.46 90.04 5.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.406 1.066 . . . . 0.0 110.947 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.9 m -95.97 153.66 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.315 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -125.47 116.09 21.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.583 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -59.92 129.78 43.53 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -120.4 127.73 75.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -170.18 -59.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 109.346 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -171.91 52.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 111.021 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.432 ' HB3' ' CD1' ' A' ' 57' ' ' LEU . 6.9 m-20 -166.16 -172.62 2.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -154.67 161.91 41.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 67.57 28.37 7.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.34 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.432 ' CD1' ' HB3' ' A' ' 54' ' ' ASN . 12.7 mt -103.54 30.73 4.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.351 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.405 ' CG ' ' OH ' ' A' ' 47' ' ' TYR . 10.2 p30 -82.38 138.37 34.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -159.03 163.19 36.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 110.31 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 86.4 m95 -86.79 128.58 35.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 107.986 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 18.2 m -121.67 -171.63 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.632 1.208 . . . . 0.0 109.316 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 76.3 p -119.95 179.73 4.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.417 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 66' ' ' LEU . 3.6 t-160 -75.35 -41.12 57.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.587 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -50.19 -26.22 4.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.9 mtt85 -89.39 -24.34 21.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.29 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.506 HD11 ' CD1' ' A' ' 46' ' ' PHE . 63.0 mt -73.61 112.25 9.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -97.64 74.14 2.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.232 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.4 mt -53.05 -20.27 3.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.127 . . . . 0.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -68.11 -8.36 37.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -135.99 22.66 3.29 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.43 HG13 ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -65.68 160.0 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 73' ' ' PHE . 4.1 mt-30 -146.66 62.69 1.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.539 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 26.5 m-85 -36.89 153.92 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.036 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 176.38 10.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.484 1.781 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -106.22 123.55 48.2 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.42 1.075 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -157.52 164.8 36.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.04 148.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.263 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -125.31 118.56 26.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.38 -75.38 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.328 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.3 m 63.28 147.53 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 136.96 21.2 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.45 1.763 . . . . 0.0 111.026 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 60.1 p -55.19 159.55 2.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.043 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -38.55 153.03 0.03 OUTLIER Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.491 1.119 . . . . 0.0 111.04 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 166.6 28.84 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.45 1.763 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.73 166.18 18.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.001 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.2 m 61.79 158.16 0.05 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.51 1.131 . . . . 0.0 109.971 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.069 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.82 108.1 0.57 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 0.807 . . . . 0.0 110.025 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.14 122.5 11.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.068 . . . . 0.0 109.976 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.67 -166.02 15.17 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.542 1.152 . . . . 0.0 111.053 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.92 -56.4 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.597 0.822 . . . . 0.0 109.983 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -58.0 149.1 23.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.961 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.48 56.38 3.49 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.518 1.136 . . . . 0.0 110.942 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -39.92 -83.05 0.01 OUTLIER Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -138.14 132.42 31.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.456 ' CD1' HD23 ' A' ' 16' ' ' LEU . 6.6 mm -66.32 111.19 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.9 pp -114.19 170.11 4.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -72.79 123.22 22.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.19 -30.84 5.68 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.9 m -51.49 141.12 16.45 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.463 ' CD ' HD12 ' A' ' 31' ' ' LEU . 5.5 mtt180 -117.53 122.11 42.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.365 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.568 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.75 154.42 40.5 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 107.5 2.5 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.508 1.794 . . . . 0.0 111.04 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.429 ' CG1' HG13 ' A' ' 61' ' ' VAL . 43.3 t -90.0 114.5 27.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.8 tp -41.94 138.23 1.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.243 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.458 ' CZ ' ' HA ' ' A' ' 22' ' ' ASN . 0.2 OUTLIER -152.53 112.64 4.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -90.71 96.61 10.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 110.316 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.458 ' HA ' ' CZ ' ' A' ' 20' ' ' ARG . 3.5 p30 -58.77 176.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.421 ' C ' ' N ' ' A' ' 25' ' ' ASN . 1.6 mt-30 -45.63 -58.29 3.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.235 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.504 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 1.7 m-20 -46.42 -25.55 0.68 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 2.0 t-20 82.11 43.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.354 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 28' ' ' GLU . 29.1 mt-10 -107.01 98.82 8.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.238 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.41 98.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 26' ' ' GLU . 14.2 tt0 -94.5 169.14 10.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.571 1.169 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.426 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 98.0 m95 -138.57 64.84 38.61 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.426 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -74.96 152.37 40.89 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.531 1.806 . . . . 0.0 111.006 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.463 HD12 ' CD ' ' A' ' 15' ' ' ARG . 0.6 OUTLIER -69.63 129.28 39.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -134.8 145.25 48.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.354 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -111.9 137.01 50.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.361 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mm -69.33 136.66 25.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 47.5 mt -116.41 -52.33 2.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.79 144.82 24.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.971 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.437 ' CG1' ' N ' ' A' ' 38' ' ' LYS . 88.6 t -108.46 168.09 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.47 ' CE ' HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -160.1 -177.56 6.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.148 . . . . 0.0 109.245 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.478 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.4 OUTLIER -158.85 121.04 3.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.47 HD12 ' CE ' ' A' ' 38' ' ' LYS . 80.1 mt -141.09 110.8 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.07 48.98 9.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.934 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 67.28 7.85 47.48 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.564 ' CD ' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -104.34 94.09 5.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 0.756 . . . . 0.0 110.283 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.587 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -70.56 127.35 32.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.4 1.063 . . . . 0.0 109.257 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.564 ' CD1' ' CD ' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -105.84 152.5 23.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.587 ' CZ ' ' HB3' ' A' ' 44' ' ' LYS . 23.2 m-85 -145.75 119.6 9.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -81.41 91.1 6.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.973 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.442 HG11 ' CG2' ' A' ' 61' ' ' VAL . 11.9 m -96.0 154.18 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.444 ' ND1' ' OD2' ' A' ' 58' ' ' ASP . 74.0 t60 -129.16 115.89 18.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.574 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.652 ' CD2' ' ND2' ' A' ' 54' ' ' ASN . 24.3 m-85 -59.07 131.11 50.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.41 ' CD1' HD13 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -116.16 3.06 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -100.55 -67.99 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.17 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.449 ' O ' ' ND2' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -165.2 147.77 8.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.652 ' ND2' ' CD2' ' A' ' 50' ' ' TYR . 0.7 OUTLIER 174.18 -174.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.04 -44.23 2.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.0 tpt85 -75.03 -57.8 3.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.3 mt 64.23 141.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.584 1.178 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.444 ' OD2' ' ND1' ' A' ' 49' ' ' HIS . 2.6 m-20 56.63 97.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -159.34 166.64 30.74 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -87.64 140.98 28.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 107.973 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.442 ' CG2' HG11 ' A' ' 48' ' ' VAL . 28.5 m -130.66 -171.61 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.4 p -122.28 170.9 9.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 66' ' ' LEU . 2.0 t-160 -62.31 -46.33 89.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.539 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -48.17 -28.01 2.73 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 110.358 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -85.18 -28.42 25.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.161 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 63' ' ' HIS . 38.4 mt -74.34 115.56 13.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.407 ' C ' ' N ' ' A' ' 69' ' ' LYS . 12.1 t0 -100.89 73.14 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.3 mt -50.81 -21.54 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 67' ' ' ASP . 9.8 mttt -64.52 -10.94 29.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.224 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -134.42 21.84 3.69 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.403 HG13 ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -62.22 156.73 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.535 ' O ' ' CG ' ' A' ' 72' ' ' GLN . 3.3 tt0 -143.31 71.01 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -45.89 151.77 0.83 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 111.029 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 165.7 30.78 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.498 1.788 . . . . 0.0 111.051 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.0 tttt -91.92 132.56 36.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.52 147.0 24.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -68.98 84.09 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -129.55 95.26 3.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 0.0 109.259 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.78 102.06 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.8 p 46.2 95.17 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.432 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -46.17 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.475 1.777 . . . . 0.0 111.051 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.54 122.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.979 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -103.03 106.57 2.91 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -40.37 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 26.4 p -150.96 102.24 2.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 110.028 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 84.3 p -63.48 98.92 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.434 1.084 . . . . 0.0 110.016 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.931 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 m -153.25 111.0 3.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.0 151.32 45.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.967 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.79 177.43 35.65 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.428 1.08 . . . . 0.0 110.981 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.38 114.52 15.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 0.784 . . . . 0.0 110.018 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.77 -63.12 1.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.9 46.83 0.12 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.128 . . . . 0.0 111.049 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -38.5 -78.21 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -136.18 130.06 32.61 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.469 0.747 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.439 HD13 ' CD2' ' A' ' 68' ' ' LEU . 10.4 mm -67.63 108.09 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 109.377 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.418 ' CD1' ' O ' ' A' ' 12' ' ' GLU . 1.7 pp -106.14 169.45 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.418 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 48.4 mt-10 -73.72 124.79 26.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.33 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.48 -29.6 6.07 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.547 1.154 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.573 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 31.5 m -51.92 136.39 28.64 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.4 mtm105 -114.47 121.29 43.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 0.0 110.305 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.551 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.14 156.3 43.41 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.371 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 108.34 2.69 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.526 1.803 . . . . 0.0 111.043 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.0 t -91.52 114.54 28.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.1 tp -46.84 129.33 11.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 109.358 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.5 ttt-85 -147.79 112.19 5.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -85.76 111.26 19.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 25' ' ' ASN . 10.2 p30 -73.23 -179.96 3.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 1.076 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -44.31 -60.5 1.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 110.273 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.506 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 36.0 m-20 -45.62 -27.42 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 24.5 t30 82.05 42.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 28' ' ' GLU . 41.2 mt-10 -105.32 107.06 17.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.432 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 7.6 p-10 -42.59 97.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' GLU . 4.6 tt0 -94.23 166.12 12.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.289 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.441 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.1 m95 -140.34 64.29 24.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.441 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.0 Cg_endo -75.11 156.2 42.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.522 1.801 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.447 ' CD1' HD12 ' A' ' 51' ' ' ILE . 0.4 OUTLIER -71.77 127.76 33.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.61 1.194 . . . . 0.0 109.346 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.419 ' N ' HD13 ' A' ' 31' ' ' LEU . . . -132.82 143.17 49.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.244 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -110.98 133.52 53.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.441 1.088 . . . . 0.0 110.331 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.7 mm -67.72 139.31 21.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.455 HD12 ' CD2' ' A' ' 47' ' ' TYR . 34.9 mt -119.05 -46.43 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.9 144.92 20.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.385 1.053 . . . . 0.0 110.036 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.424 HG11 ' N ' ' A' ' 38' ' ' LYS . 98.7 t -106.75 167.75 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.353 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.424 ' N ' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -159.69 -178.43 7.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.461 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.6 OUTLIER -161.36 124.82 3.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.201 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.0 mt -128.7 77.35 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.68 49.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.989 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.27 -23.48 21.27 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.526 1.141 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.467 ' CD ' HD11 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -78.3 86.61 4.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 0.779 . . . . 0.0 110.31 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.588 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -71.2 129.83 39.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.467 HD11 ' CD ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -112.44 137.14 51.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.588 ' CZ ' ' HB3' ' A' ' 44' ' ' LYS . 8.2 m-85 -130.73 117.28 19.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.455 ' CD2' HD12 ' A' ' 35' ' ' LEU . 7.4 t80 -76.1 90.25 3.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 111.029 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.473 HG12 ' CG2' ' A' ' 61' ' ' VAL . 21.9 m -95.81 152.89 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -124.92 115.89 21.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.614 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -65.17 108.99 2.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.447 HD12 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -91.27 104.22 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -170.4 45.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 62.33 98.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.467 ' CB ' HD13 ' A' ' 57' ' ' LEU . 0.5 OUTLIER 174.33 -165.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.54 -67.96 0.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.56 1.162 . . . . 0.0 110.275 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -75.66 86.76 2.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.167 . . . . 0.0 110.321 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.467 HD13 ' CB ' ' A' ' 54' ' ' ASN . 11.5 mt -141.02 -47.12 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -40.14 119.62 1.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -153.47 170.11 21.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.343 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -87.67 137.14 32.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 108.012 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.473 ' CG2' HG12 ' A' ' 48' ' ' VAL . 32.8 m -133.66 175.85 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 67.3 p -106.31 -172.9 2.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 110.446 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.496 ' CD2' ' O ' ' A' ' 63' ' ' HIS . 4.4 t-160 -86.1 -23.99 26.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.599 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -60.24 -32.43 71.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 110.292 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.83 -29.61 25.19 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.53 1.144 . . . . 0.0 110.263 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.474 HD12 ' CD1' ' A' ' 46' ' ' PHE . 63.1 mt -64.03 113.27 3.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.246 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.405 ' C ' ' N ' ' A' ' 69' ' ' LYS . 12.1 t0 -99.17 72.12 1.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.47 ' CD2' HD22 ' A' ' 16' ' ' LEU . 4.0 mt -50.71 -21.88 1.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 67' ' ' ASP . 4.0 mttm -65.39 -10.32 32.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -134.51 24.74 3.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.407 HG13 ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -67.62 160.63 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 73' ' ' PHE . 17.7 mt-30 -147.18 62.75 1.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.586 1.179 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.573 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 26.0 m-85 -37.17 154.56 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.073 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 149.97 37.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.525 1.803 . . . . 0.0 110.999 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -76.85 124.33 27.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.63 126.63 5.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.135 . . . . 0.0 109.363 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -65.76 98.55 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.21 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -142.42 78.68 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.6 mmtt -89.69 133.22 34.77 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.527 1.142 . . . . 0.0 109.245 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.4 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 6.0 m -104.9 144.68 29.22 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.536 1.147 . . . . 0.0 110.373 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 80' ' ' THR . 18.2 Cg_endo -75.05 71.42 5.04 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.514 1.797 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.2 t 76.08 121.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.018 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -65.45 177.04 12.95 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.504 1.127 . . . . 0.0 110.924 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 118.19 5.18 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.501 1.79 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.29 92.59 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.964 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.9 m -39.52 -57.83 1.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 110.015 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -168.76 81.71 0.15 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.52 0.777 . . . . 0.0 110.004 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.6 m 63.9 131.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 109.987 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.12 -172.63 13.21 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.6 144.2 10.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 0.0 110.015 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.9 p -67.9 -70.32 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . -97.37 46.91 1.63 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -37.82 -77.77 0.06 OUTLIER Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -136.27 130.43 33.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 110.289 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.3 mm -69.53 110.37 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.468 ' CD1' ' O ' ' A' ' 12' ' ' GLU . 1.4 pp -111.26 168.26 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.468 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 50.7 mt-10 -72.8 124.18 24.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.36 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.36 -26.54 7.32 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.8 m -54.01 138.75 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.5 mtm105 -114.14 122.66 47.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.573 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -149.16 153.72 38.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 107.83 2.58 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.525 1.802 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.465 HG22 ' CG2' ' A' ' 48' ' ' VAL . 55.7 t -89.58 110.53 21.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.102 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.2 tp -42.19 130.49 3.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.133 . . . . 0.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -140.62 113.96 8.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.242 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 45.1 mtt180 -91.71 98.81 11.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.352 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -58.67 175.26 0.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -50.38 -47.32 56.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.469 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 7.6 m-20 -56.61 -19.77 17.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.469 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 4.2 t-20 80.71 41.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 28' ' ' GLU . 32.2 mt-10 -102.77 99.89 9.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 110.351 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -47.41 95.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' GLU . 17.3 tt0 -95.54 168.35 10.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.418 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 98.8 m95 -135.67 65.27 60.44 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.2 Cg_endo -75.02 143.79 29.41 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.515 1.797 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.426 HD11 ' N ' ' A' ' 32' ' ' ALA . 0.5 OUTLIER -56.46 135.86 54.16 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.55 1.156 . . . . 0.0 109.252 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.426 ' N ' HD11 ' A' ' 31' ' ' LEU . . . -138.1 149.56 46.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -124.23 134.39 53.27 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.0 mm -66.66 138.0 23.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.6 mt -121.13 -46.44 2.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.599 1.187 . . . . 0.0 109.323 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.14 141.52 19.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.0 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.568 HG12 ' CE1' ' A' ' 46' ' ' PHE . 65.9 t -106.88 167.99 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.456 ' CD ' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -159.42 -178.37 7.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.452 1.095 . . . . 0.0 109.391 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.469 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.3 OUTLIER -157.84 118.37 3.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.456 HD11 ' CD ' ' A' ' 38' ' ' LYS . 25.5 mm -124.71 92.03 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.262 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.84 46.61 11.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.966 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.85 -22.49 28.21 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.504 1.128 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.512 ' CD ' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -78.24 93.84 4.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.397 0.704 . . . . 0.0 110.361 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 1.7 mtmt -76.19 126.22 30.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.512 ' CD1' ' CD ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -104.94 153.74 21.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 44' ' ' LYS . 33.8 m-85 -146.94 121.36 9.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.58 1.175 . . . . 0.0 110.991 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 58' ' ' ASP . 11.2 t80 -81.71 91.87 6.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 110.966 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.465 ' CG2' HG22 ' A' ' 18' ' ' VAL . 16.5 m -95.83 141.98 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -109.21 118.8 37.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.626 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -68.34 76.18 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -45.58 98.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.359 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.78 176.78 3.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.158 . . . . 0.0 109.228 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -57.93 -175.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.445 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 0.6 OUTLIER 73.86 151.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.24 27.5 8.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 110.318 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.92 80.72 1.96 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 mt -140.24 -157.9 0.81 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 47' ' ' TYR . 0.4 OUTLIER 63.54 109.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.227 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -158.71 160.19 36.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -80.73 150.15 29.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 107.946 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.46 HG23 ' CG2' ' A' ' 48' ' ' VAL . 4.5 m -144.52 -174.69 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.572 1.17 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.1 p -123.7 167.26 14.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.581 1.175 . . . . 0.0 110.406 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.558 ' CD2' ' O ' ' A' ' 63' ' ' HIS . 9.3 t-160 -61.29 -16.54 46.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.599 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -64.14 -40.62 96.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.538 1.149 . . . . 0.0 110.346 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.96 -25.9 27.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.257 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.565 HD13 ' CD2' ' A' ' 46' ' ' PHE . 56.2 mt -68.32 110.9 4.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.41 ' O ' ' OD1' ' A' ' 67' ' ' ASP . 22.5 t0 -98.84 76.0 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.477 ' CD2' HD22 ' A' ' 16' ' ' LEU . 4.2 mt -54.94 -19.49 6.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.419 1.074 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -69.11 -8.17 42.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -134.44 18.03 3.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 109.256 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.23 163.42 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 73' ' ' PHE . 19.6 mt-30 -149.86 63.16 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.263 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.426 ' C ' ' O ' ' A' ' 72' ' ' GLN . 25.7 m-85 -35.89 153.07 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 111.064 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.85 162.94 36.55 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.527 1.804 . . . . 0.0 111.04 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -93.49 88.67 6.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -150.19 124.12 9.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.66 148.49 27.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.3 -61.56 1.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.412 1.07 . . . . 0.0 109.274 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.2 tttm -118.55 127.98 54.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.5 p -40.73 100.53 0.22 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.432 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.9 58.63 4.88 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.446 1.761 . . . . 0.0 111.079 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.02 -71.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.031 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -177.01 157.53 22.6 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 166.5 29.08 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.493 1.786 . . . . 0.0 111.074 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.82 91.44 2.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.522 1.139 . . . . 0.0 109.984 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.4 p -172.13 148.41 2.19 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.476 1.11 . . . . 0.0 110.061 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.509 1.13 . . . . 0.0 110.96 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.69 105.23 3.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.68 156.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.998 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.02 -75.42 0.26 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.541 1.151 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 m -41.85 161.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 109.95 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.4 p -113.29 161.87 16.71 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.392 1.057 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 39.56 43.51 2.21 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -37.76 -77.64 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -136.58 130.41 32.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 0.758 . . . . 0.0 110.354 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.514 HG23 ' CD2' ' A' ' 46' ' ' PHE . 7.5 mm -67.37 109.39 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.472 ' CD1' ' O ' ' A' ' 12' ' ' GLU . 1.7 pp -108.73 176.88 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.472 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 64.4 mt-10 -80.16 123.18 27.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 110.333 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 117.63 -28.09 7.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.149 . . . . 0.0 111.033 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.56 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 6.1 m -51.72 140.3 19.3 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.469 ' CD ' HD13 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -115.34 120.22 38.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.553 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -147.27 152.48 42.88 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 109.265 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 111.63 3.37 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.583 1.833 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.6 t -89.53 112.13 23.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 27' ' ' ASP . 2.4 tp -43.78 148.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.87 100.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.417 1.073 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.427 ' CA ' ' HA ' ' A' ' 27' ' ' ASP . 1.0 OUTLIER -73.34 143.9 46.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.576 1.172 . . . . 0.0 110.274 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -78.76 -179.66 6.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.28 -17.57 8.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.092 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 3.3 m-20 -86.99 -8.84 56.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.248 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 9.6 t30 81.86 26.16 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 28' ' ' GLU . 23.7 mt-10 -92.13 87.63 6.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.468 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 19.2 m-20 -41.88 100.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 26' ' ' GLU . 11.0 tt0 -88.47 168.67 12.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.196 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.423 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.8 m95 -137.58 64.97 46.48 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.423 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -75.0 152.71 41.1 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.585 1.834 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.469 HD13 ' CD ' ' A' ' 15' ' ' ARG . 0.4 OUTLIER -66.74 132.98 49.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.42 ' N ' HD12 ' A' ' 31' ' ' LEU . . . -138.14 140.96 40.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -111.76 134.56 53.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.2 mm -68.41 148.74 11.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 37.4 mt -126.93 -47.31 1.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.243 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.22 143.87 16.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.013 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 38' ' ' LYS . 60.2 t -107.06 168.4 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.466 ' HE3' ' CD1' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -160.16 179.77 8.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.463 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.8 OUTLIER -155.19 122.26 5.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.466 ' CD1' ' HE3' ' A' ' 38' ' ' LYS . 91.4 mt -143.77 118.26 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 109.365 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 54.44 42.55 31.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.999 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.16 1.93 57.66 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.468 1.105 . . . . 0.0 110.957 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.587 ' CD ' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -98.57 97.62 8.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 110.351 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -72.59 127.22 31.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.587 ' CD1' ' CD ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -104.61 149.19 25.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.368 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 44' ' ' LYS . 27.3 m-85 -142.86 113.9 7.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 111.049 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.496 ' CZ ' ' HB3' ' A' ' 58' ' ' ASP . 4.7 t80 -77.0 91.22 3.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.098 . . . . 0.0 110.987 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.472 HG22 ' CG2' ' A' ' 61' ' ' VAL . 11.4 m -95.64 149.51 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -116.29 115.46 25.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.658 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -65.38 118.18 9.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.68 129.7 61.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -173.77 -71.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.59 1.181 . . . . 0.0 109.351 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -148.89 69.18 1.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 173.45 -165.53 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.582 1.176 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.75 32.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.304 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.94 52.48 0.63 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.7 mt -124.27 55.46 1.3 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 109.386 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.496 ' HB3' ' CZ ' ' A' ' 47' ' ' TYR . 2.6 m-20 -90.61 123.89 34.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -156.94 140.54 15.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 110.295 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.444 ' CD1' ' CD1' ' A' ' 47' ' ' TYR . 35.7 m95 -76.89 144.16 39.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 107.988 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.472 ' CG2' HG22 ' A' ' 48' ' ' VAL . 23.5 m -130.69 -172.04 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.2 p -114.78 164.27 14.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.415 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.609 ' CD2' ' O ' ' A' ' 63' ' ' HIS . 3.3 t-160 -68.14 -10.03 51.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.602 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -74.95 -38.98 61.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.266 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -78.85 -31.7 45.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.443 HD13 ' CD1' ' A' ' 46' ' ' PHE . 31.3 mt -61.92 102.17 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 67' ' ' ASP . 13.2 t0 -89.3 78.41 7.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.452 HD23 ' CD2' ' A' ' 16' ' ' LEU . 1.7 mt -56.87 -18.15 12.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -67.55 -9.43 42.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.352 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.1 mttp -134.31 17.97 3.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.452 HG13 ' CD2' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -59.07 161.6 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.583 1.177 . . . . 0.0 109.26 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 73' ' ' PHE . 18.7 mt-30 -148.62 62.95 1.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.56 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 26.5 m-85 -36.58 153.35 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 148.99 36.35 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.521 1.8 . . . . 0.0 111.073 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.79 134.09 56.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.359 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -163.22 167.27 22.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.75 98.96 11.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -162.1 -62.23 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -93.24 87.31 5.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.3 t -56.96 145.85 62.36 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 110.413 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 87.38 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.473 1.775 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.59 135.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.029 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 132.28 145.28 5.46 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.129 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 73.86 4.18 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.504 1.791 . . . . 0.0 111.023 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.54 154.52 26.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.2 t -149.51 97.45 2.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.6 p -93.04 163.1 13.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.418 0.716 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.16 146.77 5.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.001 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.41 -179.45 40.96 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.73 167.57 7.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.76 . . . . 0.0 110.054 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.7 t -145.12 -70.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.999 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.04 48.42 0.46 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 110.963 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -40.21 -79.83 0.04 OUTLIER Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -137.25 131.48 32.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 0.72 . . . . 0.0 110.27 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.445 ' CG2' HD12 ' A' ' 34' ' ' ILE . 8.1 mm -67.85 108.57 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.9 pp -108.72 172.03 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -74.41 123.29 24.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.48 -34.28 4.32 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.517 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 17.8 m -47.87 139.82 7.3 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -116.45 120.86 40.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.347 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.553 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -146.96 154.41 46.88 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 110.51 3.13 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.52 1.8 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.468 ' CG1' HG11 ' A' ' 61' ' ' VAL . 52.5 t -91.41 113.6 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.6 tp -43.0 143.08 0.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.2 ttt85 -156.32 114.36 3.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -94.38 109.71 21.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.285 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -68.14 178.2 1.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -52.98 -45.72 67.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.142 . . . . 0.0 110.336 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 33.4 m-20 -59.87 -18.09 41.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 9.3 m-20 80.06 53.58 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -112.52 112.81 24.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 15.1 p-10 -59.28 93.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -89.83 166.81 13.3 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.419 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.0 m95 -140.91 65.23 23.03 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.419 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.2 Cg_endo -75.06 150.94 38.62 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.488 1.783 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.411 HD11 ' N ' ' A' ' 32' ' ' ALA . 0.5 OUTLIER -68.66 128.74 37.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.411 ' N ' HD11 ' A' ' 31' ' ' LEU . . . -133.54 146.71 51.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -113.87 135.18 54.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 110.312 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.445 HD12 ' CG2' ' A' ' 10' ' ' ILE . 4.8 mm -66.56 144.47 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.504 HD11 ' CD2' ' A' ' 47' ' ' TYR . 57.4 mt -123.96 -53.73 1.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.81 143.26 24.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.989 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.449 ' CG1' ' N ' ' A' ' 38' ' ' LYS . 97.7 t -106.17 168.05 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.449 ' N ' ' CG1' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -158.38 -178.51 7.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.267 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.452 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 1.0 OUTLIER -160.83 122.41 3.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.4 mt -126.55 74.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.238 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.45 52.18 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.975 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.94 -26.02 10.67 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.443 ' CD ' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -77.0 85.97 3.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 0.774 . . . . 0.0 110.342 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 2.6 mtmt -72.98 126.31 29.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.443 ' CD1' ' CD ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -107.26 150.22 26.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 44' ' ' LYS . 16.9 m-85 -143.15 126.7 16.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.133 . . . . 0.0 111.033 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.504 ' CD2' HD11 ' A' ' 35' ' ' LEU . 6.3 t80 -87.61 92.62 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.412 1.07 . . . . 0.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 26.8 m -95.72 154.76 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -129.09 115.74 18.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.628 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -59.35 125.64 24.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 111.073 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.32 31.89 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -92.92 22.29 5.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 53.1 97.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 111.049 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.451 ' O ' ' CD ' ' A' ' 55' ' ' ARG . 31.6 m120 -154.07 -59.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.426 1.079 . . . . 0.0 109.361 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.451 ' CD ' ' O ' ' A' ' 54' ' ' ASN . 0.7 OUTLIER 172.91 160.72 0.12 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.363 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.7 ttm-85 -62.39 79.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -83.85 -76.69 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 57.54 108.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.169 . . . . 0.0 109.33 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -147.29 155.5 42.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.263 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -74.15 155.74 38.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 107.989 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.468 HG11 ' CG1' ' A' ' 18' ' ' VAL . 21.4 m -149.33 176.93 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.5 p -108.71 171.27 7.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 110.378 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 63' ' ' HIS . 5.8 t-160 -69.9 -23.41 63.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 109.638 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -62.64 -35.04 78.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 0.0 110.33 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.97 -32.32 39.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.456 ' HB3' ' CD2' ' A' ' 16' ' ' LEU . 27.8 mt -66.0 121.53 15.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -107.86 77.58 1.13 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.437 1.086 . . . . 0.0 109.273 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.517 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -55.04 -18.24 4.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.392 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -63.82 -11.56 28.24 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.01 10.51 3.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.441 ' CD1' HD13 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -45.56 167.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -154.72 63.96 0.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 110.288 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.517 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 31.7 m-85 -41.51 153.46 0.26 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 148.85 35.68 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.479 1.779 . . . . 0.0 110.951 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.9 tttm -93.57 84.8 4.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.25 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.68 149.16 26.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -93.22 109.04 20.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -135.65 154.9 51.15 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -78.16 155.77 30.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.4 t -101.51 146.29 31.96 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.335 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 120.19 5.97 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.435 1.755 . . . . 0.0 111.028 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.9 p -134.82 141.4 46.39 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.142 . . . . 0.0 110.075 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -144.43 166.29 27.29 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 110.953 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 157.74 42.5 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.476 1.777 . . . . 0.0 110.974 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.7 t -126.82 146.06 50.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.986 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 26.2 p -97.32 157.58 15.9 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.511 1.132 . . . . 0.0 109.939 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.469 1.106 . . . . 0.0 110.921 179.958 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.35 94.03 4.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.778 . . . . 0.0 110.012 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -127.1 -51.07 1.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.74 -107.8 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.533 1.146 . . . . 0.0 111.018 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 76.94 148.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 110.002 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -146.85 106.34 3.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.061 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.16 -96.35 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 6' ' ' SER . . . 91.47 -71.56 1.82 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -138.2 125.13 21.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 110.345 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.3 mm -78.11 115.56 20.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.413 1.07 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 12' ' ' GLU . 1.4 pp -115.9 168.36 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.496 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 63.5 mt-10 -72.32 123.92 24.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 117.97 -23.59 9.27 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.2 m -56.42 138.47 51.23 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.2 mtm105 -114.44 121.13 42.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.322 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.553 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.61 155.47 41.75 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 107.37 2.47 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.527 1.804 . . . . 0.0 111.034 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.443 HG21 ' CG2' ' A' ' 48' ' ' VAL . 76.4 t -89.77 110.16 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 tp -42.88 139.55 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -154.43 114.69 3.88 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.425 1.078 . . . . 0.0 110.258 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.418 ' NH1' ' HB3' ' A' ' 27' ' ' ASP . 24.5 mtt-85 -92.43 103.22 15.67 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.466 1.104 . . . . 0.0 110.266 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -65.27 178.68 0.86 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -50.67 -46.52 58.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.252 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 70.2 m-20 -54.53 -23.4 16.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.479 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 4.4 t30 80.5 40.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 28' ' ' GLU . 38.0 mt-10 -106.03 108.31 19.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.326 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.446 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 7.8 p-10 -48.52 95.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 26' ' ' GLU . 6.9 tt0 -91.81 163.64 13.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.425 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 96.1 m95 -137.32 64.91 48.16 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 108.032 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.425 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -74.95 140.68 25.89 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.565 1.824 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.421 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -57.42 127.78 33.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -131.64 145.39 51.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.095 . . . . 0.0 109.353 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -114.37 134.51 54.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.3 mm -67.76 135.53 28.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.9 mt -115.6 -48.95 2.75 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.596 1.185 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.82 150.85 30.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 110.003 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' A' ' 38' ' ' LYS . 89.3 t -114.78 167.95 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.456 ' N ' ' CG1' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -159.19 -176.81 6.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.451 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -163.48 124.36 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.444 ' CD1' HD22 ' A' ' 45' ' ' LEU . 6.9 mt -127.43 74.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 72.34 46.89 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.013 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.49 -26.36 20.18 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.533 1.145 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.472 ' CD ' HD11 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -76.32 85.6 3.1 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.521 0.777 . . . . 0.0 110.301 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.583 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -71.81 128.05 34.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.472 HD11 ' CD ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -109.87 139.1 45.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.583 ' CZ ' ' HB3' ' A' ' 44' ' ' LYS . 21.7 m-85 -132.83 124.06 27.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 0.0 110.975 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -84.34 95.82 8.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.443 ' CG2' HG21 ' A' ' 18' ' ' VAL . 32.4 m -97.85 154.26 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -129.04 116.44 19.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 109.547 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -60.96 113.73 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 111.043 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.421 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -93.29 104.69 15.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -157.77 -69.2 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.153 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.6 t80 178.81 100.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.155 . . . . 0.0 111.06 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 167.23 -168.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.08 -68.69 0.76 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 110.253 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -72.85 92.95 1.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.9 mt -146.11 -47.32 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.2 p30 -39.88 118.95 0.93 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.245 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -149.25 169.55 20.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -86.63 144.71 27.03 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.438 HG12 ' CG1' ' A' ' 18' ' ' VAL . 32.9 m -138.82 -174.48 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 51.6 p -119.74 176.72 5.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.435 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.531 ' CD2' ' O ' ' A' ' 63' ' ' HIS . 19.2 t-160 -73.35 -15.55 61.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.59 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -65.69 -42.46 91.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.259 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.97 -20.72 37.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.48 ' CD1' ' CD1' ' A' ' 46' ' ' PHE . 77.1 mt -72.8 102.39 3.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.412 ' O ' ' OD1' ' A' ' 67' ' ' ASP . 21.7 t0 -91.54 75.27 5.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.219 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.475 ' CD2' HD21 ' A' ' 16' ' ' LEU . 3.8 mt -54.53 -19.64 6.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -68.31 -8.33 38.77 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.7 mttp -134.14 19.04 3.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.347 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.433 HG13 ' CG ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -62.6 163.6 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 73' ' ' PHE . 20.4 mt-30 -149.73 63.37 1.0 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 72' ' ' GLN . 25.5 m-85 -36.15 153.41 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 111.063 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 164.55 33.19 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.551 1.817 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -115.38 87.3 2.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 109.188 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -153.0 92.2 1.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.439 1.087 . . . . 0.0 109.259 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 54.21 87.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -154.42 71.2 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.437 1.085 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.7 tttm -120.77 106.25 11.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 50.8 m -130.32 143.55 49.66 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.365 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 68.75 5.65 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 0.0 110.998 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 95.4 p -89.9 138.1 31.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.034 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -93.22 156.06 22.6 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.48 1.112 . . . . 0.0 111.027 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 101.54 1.48 Allowed 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.6 t -82.67 -58.37 2.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.55 1.156 . . . . 0.0 109.986 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.6 t 78.31 140.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 109.967 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.477 1.111 . . . . 0.0 111.025 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -152.77 102.24 2.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 0.801 . . . . 0.0 109.957 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.3 p -119.52 156.41 30.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.446 1.091 . . . . 0.0 110.012 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.22 84.43 0.05 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.1 t -177.18 123.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 110.041 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.4 108.35 20.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 110.024 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.9 47.04 62.73 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -40.6 -75.84 0.11 Allowed Glycine 0 CA--C 1.529 0.944 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -136.32 130.22 32.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 0.737 . . . . 0.0 110.338 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.4 mm -69.11 109.14 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.477 ' CD1' ' O ' ' A' ' 12' ' ' GLU . 1.5 pp -108.57 168.97 3.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.477 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 45.0 mt-10 -74.0 126.57 30.78 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.56 -28.23 7.57 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.448 1.092 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.584 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 13.2 m -52.48 138.43 27.63 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.9 mtm105 -112.69 121.59 45.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.559 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.68 153.24 39.2 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 107.4 2.47 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.487 1.783 . . . . 0.0 111.037 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.466 HG23 ' CG1' ' A' ' 48' ' ' VAL . 51.6 t -91.19 116.48 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.9 tp -42.81 152.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -165.79 101.63 0.68 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.1 mtt85 -87.23 105.41 17.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.452 1.095 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -67.48 178.76 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -49.49 -52.45 29.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 110.247 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.483 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 49.6 m-20 -51.95 -23.13 4.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.452 1.095 . . . . 0.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 26.9 t30 81.32 48.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 28' ' ' GLU . 31.4 mt-10 -107.88 107.97 18.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.438 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 7.4 p-10 -53.72 93.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 26' ' ' GLU . 6.5 tt0 -92.43 163.11 13.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.424 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 96.4 m95 -137.17 65.04 49.77 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 108.022 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.424 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -75.01 148.54 35.38 Favored 'Trans proline' 0 C--N 1.358 1.07 0 O-C-N 124.493 1.786 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.454 HD12 ' CD1' ' A' ' 51' ' ' ILE . 0.5 OUTLIER -59.64 129.89 44.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.424 ' N ' HD13 ' A' ' 31' ' ' LEU . . . -136.04 136.2 40.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.077 . . . . 0.0 109.31 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -109.76 134.12 52.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.117 . . . . 0.0 110.234 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.5 mm -65.31 135.62 28.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.458 HD12 ' CD2' ' A' ' 47' ' ' TYR . 48.1 mt -115.33 -49.81 2.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.26 148.16 26.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.986 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.43 HG11 ' N ' ' A' ' 38' ' ' LYS . 90.0 t -110.34 167.57 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.43 ' N ' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -159.26 -178.96 7.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.206 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.456 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 2.4 t0 -161.22 124.92 3.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.085 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.3 mt -128.83 72.19 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.8 52.51 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.99 -24.23 14.05 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.135 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.467 ' CD ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -79.33 86.33 5.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 110.293 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 2.8 mtmt -72.9 128.55 35.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.467 HD12 ' CD ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -110.21 142.28 41.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 44' ' ' LYS . 13.4 m-85 -135.76 127.28 28.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 58' ' ' ASP . 6.9 t80 -87.27 97.6 10.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.45 1.094 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.466 ' CG1' HG23 ' A' ' 18' ' ' VAL . 31.4 m -97.44 164.25 2.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.416 ' O ' ' N ' ' A' ' 51' ' ' ILE . 9.2 t60 -136.68 115.99 12.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.665 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -65.86 73.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 111.056 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.454 ' CD1' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -40.27 108.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.525 1.141 . . . . 0.0 109.257 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 176.39 113.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.103 . . . . 0.0 109.28 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -49.67 122.68 6.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 111.025 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -172.52 -77.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.18 28.12 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.344 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.77 97.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.142 . . . . 0.0 110.24 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.46 107.2 18.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.262 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 47' ' ' TYR . 4.4 m-20 -129.74 127.89 41.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -161.38 157.05 24.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.447 ' CE3' ' HB3' ' A' ' 45' ' ' LEU . 85.3 m95 -75.46 158.84 32.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 108.018 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.438 HG12 ' CG1' ' A' ' 18' ' ' VAL . 34.2 m -148.58 -171.65 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.6 p -123.53 167.8 13.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.423 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -61.49 -35.68 78.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.182 . . . . 0.0 109.623 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -50.66 -39.22 50.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.24 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 35.1 mtt85 -78.53 -31.71 47.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.457 HD13 ' CD1' ' A' ' 46' ' ' PHE . 25.3 mt -68.43 111.42 4.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.373 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.404 ' C ' ' N ' ' A' ' 69' ' ' LYS . 19.2 t0 -96.25 73.41 2.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.9 mt -50.71 -22.18 1.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 67' ' ' ASP . 13.7 mttt -64.75 -10.88 30.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -131.34 14.19 5.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.431 HD13 ' CE1' ' A' ' 73' ' ' PHE . 0.2 OUTLIER -54.78 165.72 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 73' ' ' PHE . 25.1 mt-30 -154.08 61.94 0.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.584 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 31.0 m-85 -37.2 152.77 0.11 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.398 1.061 . . . . 0.0 110.98 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 164.91 32.41 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.472 1.775 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -100.86 77.22 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -148.59 83.96 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 47.12 92.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -95.23 138.44 32.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.18 104.45 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 64.3 p -109.74 156.93 38.93 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.579 1.174 . . . . 0.0 110.425 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 158.55 42.26 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.509 1.794 . . . . 0.0 111.013 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.9 t -60.29 -52.3 65.87 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.415 1.072 . . . . 0.0 110.054 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.402 ' HA2' ' HD3' ' A' ' 84' ' ' PRO . . . 98.33 142.86 13.8 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.14 . . . . 0.0 110.974 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.402 ' HD3' ' HA2' ' A' ' 83' ' ' GLY . 18.3 Cg_endo -74.97 133.95 17.27 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.531 1.806 . . . . 0.0 111.043 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.0 t 61.03 123.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.973 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 86.1 p -179.37 88.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.055 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.09 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 m 66.46 103.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 0.722 . . . . 0.0 109.949 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.3 p -167.52 171.22 10.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.966 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.56 155.41 24.04 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.2 m -119.09 159.1 24.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 0.75 . . . . 0.0 110.06 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 8' ' ' GLY . 1.6 m -82.12 140.42 33.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.995 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.99 -96.05 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 6' ' ' SER . . . 98.16 -74.83 0.59 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -138.23 126.16 22.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 0.77 . . . . 0.0 110.32 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.401 HD13 ' CD2' ' A' ' 68' ' ' LEU . 13.2 mm -77.21 114.31 17.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 109.185 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.501 ' CD1' ' O ' ' A' ' 12' ' ' GLU . 1.3 pp -116.31 169.14 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.501 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 76.3 mt-10 -73.19 123.44 23.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.41 -27.64 6.86 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.412 1.07 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.532 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 19.6 m -54.28 137.32 41.68 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.7 mtm105 -113.24 121.69 45.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.56 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -149.11 154.53 39.44 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.27 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 113.92 3.9 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.478 1.778 . . . . 0.0 110.947 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.456 HG21 ' CG2' ' A' ' 48' ' ' VAL . 69.5 t -94.9 111.05 24.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.26 133.71 55.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.555 ' HD3' ' CD1' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -157.29 72.44 0.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.336 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 20' ' ' ARG . 88.1 mtt180 -37.28 138.09 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 25' ' ' ASN . 7.0 p30 -99.42 179.79 4.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.434 ' C ' ' N ' ' A' ' 25' ' ' ASN . 2.2 tt0 -43.55 -62.8 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 110.31 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.49 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 92.1 m-20 -43.3 -27.82 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 4.5 t30 81.6 44.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -110.88 102.3 10.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 110.243 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.436 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 5.8 p-10 -40.39 104.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -96.82 172.8 7.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.428 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 98.0 m95 -149.2 64.7 7.56 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 107.995 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -74.99 146.04 32.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.445 1.761 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.472 HD13 ' CD1' ' A' ' 51' ' ' ILE . 0.5 OUTLIER -61.24 131.04 49.13 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.574 1.171 . . . . 0.0 109.348 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.421 ' N ' HD11 ' A' ' 31' ' ' LEU . . . -135.96 145.37 46.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -116.66 134.96 54.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mm -67.67 138.79 22.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 47.5 mt -118.5 -46.41 2.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.72 147.97 23.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.419 ' CG1' ' N ' ' A' ' 38' ' ' LYS . 64.1 t -110.5 168.46 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.478 ' HE3' ' CD1' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -162.35 -176.7 5.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.465 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.8 OUTLIER -161.33 122.39 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.478 ' CD1' ' HE3' ' A' ' 38' ' ' LYS . 83.2 mt -140.11 107.1 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.11 54.26 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.006 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 64.11 10.48 40.72 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.429 1.081 . . . . 0.0 111.017 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.501 ' CD ' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -107.98 101.22 10.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.52 0.776 . . . . 0.0 110.327 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.588 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -77.81 130.16 36.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.354 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.501 ' CD1' ' CD ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -107.39 153.12 23.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.588 ' CZ ' ' HB3' ' A' ' 44' ' ' LYS . 26.7 m-85 -147.04 116.33 6.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.952 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 58' ' ' ASP . 9.9 t80 -79.44 94.18 5.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.976 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.456 ' CG2' HG21 ' A' ' 18' ' ' VAL . 18.7 m -96.62 158.32 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.412 1.07 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -127.93 118.21 23.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.626 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.555 ' CD1' ' HD3' ' A' ' 20' ' ' ARG . 46.0 m-85 -65.6 96.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.472 ' CD1' HD13 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -79.89 84.78 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -179.21 114.68 0.06 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 109.374 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 49.44 -178.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 61.85 149.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -60.14 -70.55 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.72 144.43 11.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 110.267 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -125.41 -78.3 0.6 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 47' ' ' TYR . 2.5 m-20 65.85 120.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -157.49 159.32 37.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.344 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.439 ' CE3' ' HB3' ' A' ' 45' ' ' LEU . 92.8 m95 -81.08 143.68 32.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 107.946 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.414 HG11 ' CG1' ' A' ' 18' ' ' VAL . 34.8 m -138.93 177.65 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 53.2 p -110.14 176.83 4.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.349 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.535 ' CD2' ' O ' ' A' ' 63' ' ' HIS . 4.7 t-160 -74.89 -19.01 60.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 109.644 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -61.91 -38.9 90.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 110.352 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -84.78 -22.41 29.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.57 HD12 ' CD1' ' A' ' 46' ' ' PHE . 76.5 mt -71.27 98.11 1.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 67' ' ' ASP . 19.4 t0 -85.55 75.59 10.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.463 ' CD2' HD21 ' A' ' 16' ' ' LEU . 4.1 mt -55.01 -18.98 5.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.237 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -68.64 -8.03 38.51 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -133.39 17.42 4.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -59.35 161.95 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 73' ' ' PHE . 7.0 mt-30 -149.1 61.77 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.532 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 28.2 m-85 -36.01 153.35 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.169 . . . . 0.0 111.031 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 157.31 43.01 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.5 1.79 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -100.08 74.45 1.78 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -148.32 64.79 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -158.52 146.19 18.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.77 87.02 4.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.363 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -55.99 107.66 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.416 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 9.1 t -121.74 145.17 42.51 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.375 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 80' ' ' THR . 18.3 Cg_endo -75.0 114.68 4.08 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.468 1.773 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.54 169.42 17.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.971 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -83.71 -175.94 51.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 177.38 8.68 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.442 1.759 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.4 t -126.17 140.33 52.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.89 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.3 t -113.56 -58.57 2.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.034 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.563 1.164 . . . . 0.0 111.035 179.925 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t 48.6 88.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 109.995 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.9 p -121.7 97.27 5.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.026 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.16 -157.24 24.0 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.3 t -170.49 154.33 4.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 0.796 . . . . 0.0 110.028 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.1 104.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.941 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.8 46.77 93.02 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.469 1.106 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -38.96 -76.84 0.07 OUTLIER Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -135.89 130.07 33.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 0.0 110.292 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.7 mm -70.59 108.39 2.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.47 ' C ' ' CD1' ' A' ' 11' ' ' ILE . 1.4 pp -108.52 166.75 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -70.83 124.51 24.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.43 -29.4 5.7 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.547 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 18.9 m -52.86 137.63 31.65 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -114.67 120.73 41.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.556 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -149.46 155.71 39.2 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 118.18 5.17 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.541 1.811 . . . . 0.0 110.992 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.475 HG21 ' CG2' ' A' ' 48' ' ' VAL . 70.2 t -97.01 107.63 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 18' ' ' VAL . 9.8 tp -39.83 151.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.402 1.064 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.4 ' HA ' ' NH1' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -169.87 111.45 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.219 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.7 mtt85 -88.81 101.57 14.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.409 1.068 . . . . 0.0 110.312 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 25' ' ' ASN . 22.8 m-80 -59.79 179.56 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -50.95 -44.25 60.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.357 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 5.9 m-20 -60.14 -21.01 61.09 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.51 1.132 . . . . 0.0 109.315 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.462 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 1.5 t-20 79.53 40.34 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -103.22 104.53 14.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.44 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 5.0 p-10 -47.3 102.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -96.27 171.52 8.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.266 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.425 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.5 m95 -146.49 64.68 9.73 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 107.991 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.425 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -74.95 147.53 34.28 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.476 1.777 . . . . 0.0 111.03 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 32' ' ' ALA . 0.5 OUTLIER -65.86 133.77 51.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.08 . . . . 0.0 109.283 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.413 ' N ' HD12 ' A' ' 31' ' ' LEU . . . -138.31 149.41 45.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.366 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -117.63 131.42 56.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 110.309 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mm -65.83 136.55 26.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.363 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 39.2 mt -117.73 -43.34 2.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.88 147.88 18.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.037 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' A' ' 38' ' ' LYS . 66.1 t -110.34 168.93 3.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.607 1.192 . . . . 0.0 109.227 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -159.43 -178.23 6.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.443 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 1.1 t70 -162.82 124.05 2.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.464 1.102 . . . . 0.0 109.362 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.1 mt -127.5 77.14 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.32 43.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.974 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.38 -29.54 11.7 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.526 1.141 . . . . 0.0 110.958 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.484 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -72.59 85.58 1.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.595 0.821 . . . . 0.0 110.316 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -72.6 125.49 27.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.484 HD13 ' CD ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -108.69 141.34 40.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 44' ' ' LYS . 14.7 m-85 -134.31 121.04 20.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.503 ' CZ ' ' HB3' ' A' ' 58' ' ' ASP . 6.9 t80 -80.36 88.32 5.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.475 ' CG2' HG21 ' A' ' 18' ' ' VAL . 14.5 m -95.49 138.19 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.385 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -110.15 115.74 30.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.621 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -60.22 133.94 56.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.573 1.171 . . . . 0.0 111.002 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.32 13.38 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -137.54 121.03 17.15 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.553 1.158 . . . . 0.0 109.239 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 10.7 t80 57.6 114.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.398 1.061 . . . . 0.0 110.968 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 51.4 p-10 -63.88 161.47 15.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 178.42 -48.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.334 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.06 -47.7 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.355 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 62.9 mt 65.28 124.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.579 1.174 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.503 ' HB3' ' CZ ' ' A' ' 47' ' ' TYR . 29.4 m-20 54.76 102.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -152.75 143.71 22.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 110.376 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 90.3 m95 -74.17 141.52 45.52 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.521 1.138 . . . . 0.0 107.945 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 6.1 m -143.05 168.57 13.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.57 1.169 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.9 p -96.26 -159.05 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.413 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.607 ' CD2' ' O ' ' A' ' 63' ' ' HIS . 6.2 t-160 -100.14 -11.05 20.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.623 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -70.01 -34.13 72.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.302 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -85.1 -27.46 26.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 110.26 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 74.4 mt -65.23 112.38 3.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.402 ' C ' ' N ' ' A' ' 69' ' ' LYS . 8.8 t0 -100.03 73.35 1.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.348 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.474 ' CD2' HD23 ' A' ' 16' ' ' LEU . 3.9 mt -51.44 -21.37 2.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 67' ' ' ASP . 2.5 mttt -66.76 -9.64 38.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.592 1.182 . . . . 0.0 109.257 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -133.59 21.62 3.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.429 HG13 ' CG ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -65.19 167.14 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' PHE . 37.1 mt-30 -154.31 61.87 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.286 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.547 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 29.2 m-85 -36.5 152.58 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 75' ' ' LYS . 18.2 Cg_endo -75.05 148.18 34.75 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.505 1.792 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 74' ' ' PRO . 22.2 tttm 39.56 62.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -149.48 141.99 24.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -159.67 99.34 1.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -107.22 70.63 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.19 178.51 1.71 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.1 p -57.16 157.75 11.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.423 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 124.63 8.74 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.496 1.787 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 38.0 p -127.34 -61.72 1.13 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.399 1.062 . . . . 0.0 109.977 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 147.22 103.27 0.33 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.456 1.098 . . . . 0.0 110.952 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 176.33 10.07 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.423 1.749 . . . . 0.0 110.989 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.09 100.68 5.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.7 p 54.8 168.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.044 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.467 1.104 . . . . 0.0 110.923 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.077 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 t 61.34 167.68 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 0.789 . . . . 0.0 110.023 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.7 p -139.37 159.5 42.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.98 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.34 101.23 1.54 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.519 1.137 . . . . 0.0 110.95 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -173.24 112.4 0.21 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 0.745 . . . . 0.0 110.022 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.62 -70.92 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.422 1.076 . . . . 0.0 110.004 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . -125.92 44.15 1.28 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -37.71 -77.95 0.05 OUTLIER Glycine 0 CA--C 1.531 1.077 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -136.47 131.3 33.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 0.796 . . . . 0.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.2 mm -67.21 103.66 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.9 pp -99.6 170.06 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -75.52 123.14 24.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.583 1.177 . . . . 0.0 110.32 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.06 -33.73 4.28 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.565 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 17.6 m -47.17 139.66 5.85 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.7 mtm105 -115.98 121.31 41.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.552 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -147.4 155.44 46.0 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 107.85 2.58 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.452 1.764 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.404 ' CG2' ' HB2' ' A' ' 32' ' ' ALA . 56.6 t -92.08 117.19 34.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.8 tp -43.07 130.6 4.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.343 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.0 ttt-85 -145.74 96.63 2.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.25 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.9 mtm-85 -59.26 164.02 3.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.575 1.172 . . . . 0.0 110.248 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -120.97 179.9 4.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -61.92 -16.77 53.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.49 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 2.1 m-20 -99.48 -8.07 25.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 2.2 t-20 80.83 30.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 28' ' ' GLU . 8.4 mt-10 -85.83 100.89 12.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -52.31 92.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' GLU . 13.4 tt0 -86.23 169.23 13.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.363 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.404 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 95.8 m95 -140.86 66.08 25.42 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 107.984 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.404 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -75.03 154.73 42.57 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.577 1.83 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.447 HD12 ' CD1' ' A' ' 51' ' ' ILE . 0.6 OUTLIER -67.48 127.87 34.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.335 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.404 ' HB2' ' CG2' ' A' ' 18' ' ' VAL . . . -132.17 142.94 49.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -113.03 140.65 47.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.348 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.3 mm -73.04 143.68 13.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 35.8 mt -124.46 -49.38 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.57 144.05 21.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.072 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.44 ' CG1' ' N ' ' A' ' 38' ' ' LYS . 86.3 t -106.78 168.16 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.613 1.196 . . . . 0.0 109.294 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.44 ' N ' ' CG1' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -157.61 -178.31 7.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.243 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.456 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 1.0 OUTLIER -161.03 124.28 3.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.9 mt -129.11 73.23 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 72.34 50.41 0.2 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.458 1.099 . . . . 0.0 110.041 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.84 -26.67 11.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.458 1.098 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.466 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -75.91 82.53 2.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 110.327 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 2.7 mtmt -70.73 123.61 22.32 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.466 HD13 ' CD ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -104.86 151.27 24.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.558 ' CZ ' ' HB3' ' A' ' 44' ' ' LYS . 20.6 m-85 -143.75 123.67 13.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -81.67 93.97 6.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.173 . . . . 0.0 110.957 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 18.7 m -95.79 152.66 3.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -129.19 115.95 18.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.588 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -60.83 124.47 20.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.447 ' CD1' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -107.56 47.45 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.01 168.49 15.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -50.11 117.67 2.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 170.01 -160.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -152.94 151.81 30.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 110.309 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 42.63 77.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.233 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.4 ' C ' ' OD1' ' A' ' 58' ' ' ASP . 3.0 mt -116.29 129.37 56.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' A' ' 57' ' ' LEU . 3.7 p-10 168.58 116.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -162.02 149.51 14.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 110.263 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -77.11 147.46 36.6 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.5 m -139.03 177.47 4.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.237 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 27.9 p -106.51 -159.72 0.71 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.513 1.133 . . . . 0.0 110.453 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.613 ' CD2' ' O ' ' A' ' 63' ' ' HIS . 4.0 t-160 -97.78 -8.78 27.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.612 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -77.25 -36.16 54.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 110.241 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.8 mtt85 -75.76 -28.53 58.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.442 ' HB3' ' CD2' ' A' ' 16' ' ' LEU . 20.3 mt -67.59 129.41 39.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.413 ' C ' ' N ' ' A' ' 69' ' ' LYS . 10.2 t0 -114.71 72.45 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.418 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 1.5 mt -50.72 -21.16 1.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.241 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.413 ' N ' ' C ' ' A' ' 67' ' ' ASP . 12.5 mttt -62.82 -11.75 20.03 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -133.95 12.33 3.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -47.94 168.54 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -155.43 61.04 0.62 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.565 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 31.8 m-85 -38.37 155.21 0.12 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 172.75 15.75 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.536 1.809 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.2 tttp -154.8 62.28 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.409 1.068 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.2 mttp 75.48 163.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.28 108.41 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.419 1.075 . . . . 0.0 110.276 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -150.88 131.83 14.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.249 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.6 tttm -71.7 77.11 0.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 4.8 t -46.69 136.22 7.7 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.4 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 80' ' ' THR . 18.1 Cg_endo -75.07 152.06 39.98 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.447 1.762 . . . . 0.0 110.95 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.6 m -95.59 163.79 13.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 109.972 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -160.82 151.06 21.42 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.525 1.141 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 154.64 42.83 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.422 1.749 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 95.7 p -175.84 148.93 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.956 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.4 t 65.17 126.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.996 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 p -147.33 107.87 4.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 0.785 . . . . 0.0 109.949 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 t -75.4 144.06 42.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.79 96.89 0.16 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.444 1.09 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 t -151.37 132.47 14.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 0.744 . . . . 0.0 109.961 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.2 m -113.12 117.15 31.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.036 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 39.33 41.9 1.65 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -37.87 -72.57 0.17 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -138.31 131.81 30.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 0.762 . . . . 0.0 110.312 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.417 HD11 ' CD2' ' A' ' 68' ' ' LEU . 11.9 mm -69.77 107.01 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.409 ' CD1' ' O ' ' A' ' 12' ' ' GLU . 1.6 pp -106.4 168.54 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.406 1.066 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.409 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 49.9 mt-10 -72.51 123.94 24.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.17 -29.26 6.03 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.523 1.139 . . . . 0.0 111.043 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.416 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 33.0 m -51.78 134.96 30.29 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.459 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 4.1 mtt180 -113.51 123.01 48.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.563 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -149.17 154.06 38.67 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.196 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 110.37 3.1 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.453 1.765 . . . . 0.0 110.973 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.427 HG13 ' N ' ' A' ' 19' ' ' LEU . 72.0 t -90.25 144.14 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.427 ' N ' HG13 ' A' ' 18' ' ' VAL . 14.2 tp -70.74 145.47 50.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -161.76 105.55 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.232 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 26.8 mtt180 -90.04 105.52 17.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.288 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -66.39 178.52 1.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -40.17 61.49 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.459 1.1 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 4.2 m-20 -62.61 -18.07 61.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.163 . . . . 0.0 109.348 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 6.8 t30 81.82 26.85 0.18 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.411 1.069 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 28' ' ' GLU . 29.6 mt-10 -92.28 100.34 12.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.266 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -46.81 95.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 26' ' ' GLU . 36.1 tt0 -87.55 152.74 21.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.601 1.188 . . . . 0.0 110.257 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.427 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 62.6 m95 -134.5 64.8 65.59 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 108.024 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -74.95 135.1 18.73 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.47 1.774 . . . . 0.0 111.066 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.459 ' CD1' ' HD3' ' A' ' 15' ' ' ARG . 0.8 OUTLIER -49.81 125.31 11.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.438 ' N ' HD11 ' A' ' 31' ' ' LEU . . . -128.91 158.11 39.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -127.03 135.37 50.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.0 mm -67.94 142.24 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.352 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.402 ' O ' ' OE1' ' A' ' 12' ' ' GLU . 28.8 mt -124.39 -47.65 1.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.7 146.64 26.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.956 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.421 HG13 ' N ' ' A' ' 38' ' ' LYS . 59.6 t -111.66 167.78 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.472 ' HE3' ' CD1' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -161.24 179.52 8.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.461 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.8 OUTLIER -156.35 122.25 4.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.253 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.472 ' CD1' ' HE3' ' A' ' 38' ' ' LYS . 88.7 mt -143.71 116.53 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 55.17 47.59 21.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.19 6.71 48.27 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.454 1.096 . . . . 0.0 110.951 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.578 ' CD ' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -104.18 101.38 11.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 0.785 . . . . 0.0 110.324 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.581 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -76.4 127.12 32.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.578 ' CD1' ' CD ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -105.22 145.86 30.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.378 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.581 ' CZ ' ' HB3' ' A' ' 44' ' ' LYS . 27.8 m-85 -139.6 121.55 15.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -80.82 91.53 5.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.472 HG21 ' CG2' ' A' ' 61' ' ' VAL . 14.8 m -96.26 155.36 3.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.474 ' CE1' HD23 ' A' ' 57' ' ' LEU . 33.9 t60 -113.85 115.13 27.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 0.0 109.592 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -63.16 88.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 111.028 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.2 mt -72.8 73.45 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.231 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -176.25 133.71 0.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.571 ' CD1' ' O ' ' A' ' 53' ' ' PHE . 6.8 p90 -37.5 125.36 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.951 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 171.83 160.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -75.72 -72.88 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 110.337 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.1 mtt85 -50.57 96.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.38 1.05 . . . . 0.0 110.276 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.474 HD23 ' CE1' ' A' ' 49' ' ' HIS . 2.1 mt -115.37 149.26 38.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 57.68 108.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -162.33 156.31 21.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.429 1.081 . . . . 0.0 110.337 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 64.4 m95 -83.05 148.15 27.71 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.472 ' CG2' HG21 ' A' ' 48' ' ' VAL . 29.2 m -136.94 -173.81 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.221 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 35.6 p -119.04 174.53 6.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 110.421 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.439 ' O ' ' N ' ' A' ' 66' ' ' LEU . 2.2 t-160 -68.6 -43.7 75.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.606 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.97 -32.59 6.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.0 mtt85 -82.18 -28.24 32.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 63' ' ' HIS . 50.1 mt -70.62 123.79 22.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -106.45 74.03 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.425 HD23 ' N ' ' A' ' 68' ' ' LEU . 3.2 mt -53.39 -20.52 4.63 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -67.31 -9.46 41.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -135.78 25.35 3.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.409 HG13 ' CG ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -68.36 159.9 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 73' ' ' PHE . 32.8 mt-30 -145.01 63.78 1.29 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.416 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 23.7 m-85 -37.44 154.01 0.11 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 152.47 41.1 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.538 1.809 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -74.91 101.24 4.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.31 121.87 24.23 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -66.27 130.73 44.2 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.111 . . . . 0.0 110.341 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' A' ' 77' ' ' GLU . . . 78.1 157.43 0.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -174.76 111.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.0 t -62.42 146.67 93.09 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.384 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 117.81 5.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.47 1.774 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.3 150.7 34.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 110.066 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 75.67 171.81 31.24 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.435 1.084 . . . . 0.0 110.981 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 164.04 34.02 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.458 1.768 . . . . 0.0 110.959 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.7 t -88.8 -85.89 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.99 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.74 -12.48 50.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.562 1.164 . . . . 0.0 110.019 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.57 -60.96 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 0.784 . . . . 0.0 110.019 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 50.4 97.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.041 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.96 -138.18 3.0 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.87 118.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 0.745 . . . . 0.0 109.955 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t -175.24 157.32 2.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.046 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . -83.03 48.71 4.09 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.546 1.154 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -37.65 -78.94 0.04 OUTLIER Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -137.22 132.07 33.33 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.544 0.79 . . . . 0.0 110.333 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.444 HD12 ' CD2' ' A' ' 68' ' ' LEU . 9.0 mm -68.82 108.64 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.415 ' CD1' ' O ' ' A' ' 12' ' ' GLU . 1.5 pp -108.13 168.2 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.371 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.415 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 77.5 mt-10 -72.36 123.77 23.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.97 -30.03 5.81 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.424 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 20.0 m -49.89 136.19 18.62 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.4 mtm105 -114.13 120.23 39.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.143 . . . . 0.0 110.368 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.541 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -147.35 154.27 45.31 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 106.5 2.29 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.541 1.811 . . . . 0.0 110.981 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 52.5 t -89.59 113.03 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.283 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.4 tp -41.43 136.99 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -143.56 105.39 4.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -89.29 95.93 10.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' A' ' 25' ' ' ASN . 17.1 m-80 -60.74 176.59 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.42 -46.75 47.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.339 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.475 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 16.9 m-20 -57.65 -20.8 35.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 2.5 t-20 80.51 38.17 0.09 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.522 1.139 . . . . 0.0 109.354 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 28' ' ' GLU . 31.9 mt-10 -96.23 104.14 16.08 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.444 1.09 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -53.02 91.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 0.0 109.364 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' GLU . 28.4 tt0 -92.09 168.66 11.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.418 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 99.2 m95 -136.92 64.87 50.94 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 107.949 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.1 Cg_endo -75.02 144.34 30.06 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.416 1.745 . . . . 0.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.424 HD12 ' N ' ' A' ' 32' ' ' ALA . 0.5 OUTLIER -60.39 133.92 56.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.274 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.424 ' N ' HD12 ' A' ' 31' ' ' LEU . . . -136.51 144.22 44.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -117.06 130.16 56.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.262 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mm -64.28 138.2 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 35.3 mt -119.75 -45.63 2.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.29 146.53 21.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.007 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.438 ' CG1' ' N ' ' A' ' 38' ' ' LYS . 87.0 t -108.05 168.01 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.438 ' N ' ' CG1' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -159.82 -175.85 5.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.17 . . . . 0.0 109.266 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.446 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 1.0 OUTLIER -163.99 121.86 1.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.6 mt -124.65 77.06 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.4 49.88 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.416 1.073 . . . . 0.0 110.062 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.44 -22.02 32.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.465 ' CD ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -79.93 87.3 5.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 0.786 . . . . 0.0 110.303 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.589 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -72.53 126.05 28.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.465 HD12 ' CD ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -109.14 139.54 43.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.589 ' CZ ' ' HB3' ' A' ' 44' ' ' LYS . 20.8 m-85 -132.87 115.65 15.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.943 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -75.45 99.16 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 111.053 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.452 HG23 ' CG1' ' A' ' 61' ' ' VAL . 10.0 m -99.97 165.7 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -131.28 115.83 16.81 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.574 1.171 . . . . 0.0 109.636 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -69.57 73.96 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 111.054 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -45.65 102.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.226 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -179.03 169.94 1.5 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -79.46 118.22 21.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 169.91 -172.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.4 -78.5 0.49 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 110.374 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.48 123.34 22.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.228 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 36.3 mt -145.14 -75.81 0.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.07 118.66 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -161.45 160.22 29.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 90.0 m95 -79.11 152.54 30.73 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.452 ' CG1' HG23 ' A' ' 48' ' ' VAL . 15.9 m -146.07 -177.77 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.077 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 73.4 p -117.87 178.16 4.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 110.361 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.435 ' CD2' ' O ' ' A' ' 63' ' ' HIS . 5.9 t-160 -74.56 -26.18 59.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.598 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -58.35 -36.12 72.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.417 1.073 . . . . 0.0 110.272 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.401 ' NH1' ' HA ' ' A' ' 61' ' ' VAL . 0.7 OUTLIER -85.78 -23.04 27.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.29 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.481 ' CD2' HD23 ' A' ' 16' ' ' LEU . 73.5 mt -70.71 108.54 4.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.406 ' O ' ' OD1' ' A' ' 67' ' ' ASP . 19.9 t0 -97.43 76.96 2.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.473 ' CD2' HD21 ' A' ' 16' ' ' LEU . 2.8 mt -56.71 -18.1 11.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -68.45 -8.8 43.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -135.16 18.64 3.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.418 HG13 ' CG ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -59.78 169.17 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 73' ' ' PHE . 9.0 mt-30 -155.36 61.95 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.424 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 30.5 m-85 -36.46 153.21 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 154.53 42.4 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.498 1.788 . . . . 0.0 111.03 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.7 tmpt? -77.23 102.46 6.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.229 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.72 157.96 44.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -82.73 89.72 6.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -126.57 150.62 48.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.363 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -157.33 110.98 2.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.409 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 3.0 t -161.49 145.8 9.98 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.415 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 80' ' ' THR . 18.4 Cg_endo -75.02 164.02 34.14 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.461 1.769 . . . . 0.0 111.024 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.4 m -135.29 118.18 16.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.135 . . . . 0.0 109.993 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -105.86 143.5 15.72 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.451 1.094 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 143.74 29.3 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.542 1.812 . . . . 0.0 110.943 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.5 m -127.52 -52.16 1.37 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.468 1.105 . . . . 0.0 109.968 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.66 -74.28 0.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.974 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.54 1.15 . . . . 0.0 110.926 -179.96 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.39 86.86 0.81 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.46 0.741 . . . . 0.0 110.01 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.16 165.06 11.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.969 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.04 -144.99 5.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -161.89 103.89 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 110.007 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 m 52.87 98.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.052 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . 96.72 46.22 2.53 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.477 1.111 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -37.78 -76.75 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.051 -0.819 . . . . 0.0 111.051 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -137.01 130.63 31.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.426 HD11 ' CD2' ' A' ' 68' ' ' LEU . 11.9 mm -70.08 106.28 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.425 ' CD1' ' O ' ' A' ' 12' ' ' GLU . 1.5 pp -103.78 167.47 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.376 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.425 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 78.4 mt-10 -72.47 123.67 23.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.258 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.41 -28.66 5.94 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.507 1.13 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.588 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 21.0 m -52.65 137.47 30.79 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -114.37 120.72 41.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.266 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.555 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.59 155.83 41.86 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 107.88 2.59 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.546 1.814 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.419 ' CG1' HG11 ' A' ' 61' ' ' VAL . 50.8 t -89.84 112.56 24.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.517 1.135 . . . . 0.0 109.343 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 18' ' ' VAL . 8.4 tp -39.92 150.02 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -164.93 107.27 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 72.8 mtt-85 -89.77 102.76 15.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -57.35 173.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -57.51 -17.27 12.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.328 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 13.6 m-20 -81.04 -16.64 52.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.237 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 14.6 t-20 81.17 30.88 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -100.7 100.46 11.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.432 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 4.9 p-10 -48.42 108.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -100.59 172.38 7.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 110.29 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.455 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 98.1 m95 -147.78 63.54 7.73 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.481 1.113 . . . . 0.0 108.03 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.455 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.2 Cg_endo -74.99 154.26 42.39 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.513 1.796 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.423 HD12 ' N ' ' A' ' 32' ' ' ALA . 0.5 OUTLIER -69.78 127.07 31.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.423 ' N ' HD12 ' A' ' 31' ' ' LEU . . . -132.85 147.22 52.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.378 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -114.66 133.94 55.46 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.567 1.167 . . . . 0.0 110.304 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 mm -66.42 136.22 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 55.4 mt -115.7 -52.78 2.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.403 1.065 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.33 143.11 22.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.022 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.453 ' CG1' ' N ' ' A' ' 38' ' ' LYS . 93.4 t -104.52 167.47 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.453 ' N ' ' CG1' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -157.94 179.96 8.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.407 1.067 . . . . 0.0 109.353 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.456 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.2 OUTLIER -159.6 124.45 4.01 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.9 mt -128.93 74.57 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.08 52.94 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.039 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.03 -25.31 10.2 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.399 1.062 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.47 ' CD ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -78.33 87.61 4.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.777 . . . . 0.0 110.323 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 2.3 mtmt -74.16 130.82 40.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.47 HD12 ' CD ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -112.36 145.59 39.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 44' ' ' LYS . 10.1 m-85 -139.0 119.88 14.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 111.03 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -78.86 91.19 4.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.461 ' CG2' HG22 ' A' ' 61' ' ' VAL . 6.4 m -96.85 153.89 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.36 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -126.93 116.28 20.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 109.614 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -62.41 109.69 1.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.157 . . . . 0.0 110.96 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.418 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -95.96 62.69 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -134.53 -65.92 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -163.95 -149.64 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.408 1.067 . . . . 0.0 111.028 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.9 m120 63.43 157.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 109.291 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 57' ' ' LEU . 0.7 OUTLIER -89.07 -172.11 3.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.6 mtm-85 53.97 -89.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.566 1.166 . . . . 0.0 110.307 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 55' ' ' ARG . 16.5 mt 72.02 -176.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.16 112.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -161.51 157.9 25.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.266 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -82.32 134.89 35.28 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.461 HG22 ' CG2' ' A' ' 48' ' ' VAL . 25.3 m -129.26 -177.67 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.0 p -114.0 -178.03 3.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.43 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.442 ' O ' ' N ' ' A' ' 66' ' ' LEU . 3.9 t-160 -76.73 -40.51 48.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.573 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -49.35 -28.78 5.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.356 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 27.9 mtt85 -86.49 -25.31 25.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.257 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.466 HD11 ' CD1' ' A' ' 46' ' ' PHE . 66.7 mt -71.99 117.22 13.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.406 ' C ' ' N ' ' A' ' 69' ' ' LYS . 8.6 t0 -102.07 72.12 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.457 ' CD2' HD22 ' A' ' 16' ' ' LEU . 3.9 mt -50.71 -21.89 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 67' ' ' ASP . 1.9 mttt -65.4 -10.22 31.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -135.19 25.87 3.53 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.564 1.165 . . . . 0.0 109.254 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.436 HD12 ' CE1' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -68.78 165.42 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -152.72 62.93 0.8 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.14 . . . . 0.0 110.272 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.588 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 29.6 m-85 -37.88 152.43 0.14 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 151.0 38.84 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.547 1.814 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -78.6 145.13 34.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.366 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.4 tttm -148.05 148.76 31.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -92.75 76.41 4.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -123.85 171.04 9.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.407 1.067 . . . . 0.0 109.246 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.92 122.39 42.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.0 p -119.68 110.28 37.17 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 70.56 5.27 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.413 1.744 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.0 t -179.79 149.56 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.023 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -129.78 136.24 8.83 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 134.68 18.25 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.483 1.78 . . . . 0.0 111.009 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.96 84.62 0.59 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 110.05 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.4 p -95.88 18.42 13.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.97 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 O-C-N 124.494 1.122 . . . . 0.0 110.991 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 80' ' ' THR . 4.7 m -145.28 147.21 32.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 0.782 . . . . 0.0 110.018 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -71.49 147.5 47.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.03 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.0 -144.73 5.63 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.571 1.169 . . . . 0.0 111.014 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.9 p -179.27 171.12 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 0.74 . . . . 0.0 110.074 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 t -167.13 153.75 8.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.945 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.58 50.92 0.74 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.541 1.15 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -40.76 -78.14 0.06 OUTLIER Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -136.82 131.39 33.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 0.807 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.446 HD13 ' CD2' ' A' ' 68' ' ' LEU . 11.2 mm -67.65 111.6 2.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.6 pp -111.85 168.52 4.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.627 1.205 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -72.65 123.19 22.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.254 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.25 -32.55 4.86 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.605 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 16.5 m -49.01 138.63 11.42 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.443 ' CD ' HD13 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -114.35 123.14 48.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.234 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.562 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -149.02 151.98 35.62 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.586 1.179 . . . . 0.0 109.342 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 111.14 3.26 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.487 1.783 . . . . 0.0 110.959 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.441 ' CG1' HG12 ' A' ' 61' ' ' VAL . 54.6 t -91.52 115.45 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.463 ' HB3' ' CG ' ' A' ' 65' ' ' ARG . 12.6 tp -41.95 144.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -164.07 114.39 1.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.263 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.3 mtt85 -89.36 105.19 17.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -65.1 178.78 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.0 -57.91 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.256 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.478 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 0.9 OUTLIER -47.58 -25.17 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.478 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 23.5 t30 81.42 43.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 27' ' ' ASP . 34.8 mt-10 -108.35 104.97 14.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.245 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 8.1 p-10 -40.01 103.06 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -96.36 171.32 8.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.441 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.9 m95 -146.11 64.28 9.79 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 107.993 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.441 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -75.11 147.95 34.2 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.537 1.809 . . . . 0.0 110.998 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.443 HD13 ' CD ' ' A' ' 15' ' ' ARG . 0.6 OUTLIER -63.74 130.37 43.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.415 ' N ' HD12 ' A' ' 31' ' ' LEU . . . -135.11 145.87 48.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.603 1.189 . . . . 0.0 109.238 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -114.02 137.96 51.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.248 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.6 mm -69.97 145.0 13.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.36 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.1 mt -125.6 -52.21 1.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.79 147.46 28.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 110.03 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 38' ' ' LYS . 62.8 t -111.06 168.82 4.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.422 ' N ' ' CG1' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -161.52 -178.84 6.87 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.449 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.6 OUTLIER -161.21 124.3 3.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.395 1.06 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.7 mt -127.65 71.38 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.7 53.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.41 -26.35 9.24 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.565 1.166 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.484 ' CD ' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -77.58 85.51 3.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 110.332 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.588 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -72.77 128.48 35.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.484 ' CD1' ' CD ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -109.6 140.19 43.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.588 ' CZ ' ' HB3' ' A' ' 44' ' ' LYS . 21.6 m-85 -133.76 119.71 19.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -80.06 91.52 5.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 111.053 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.433 HG11 ' CG2' ' A' ' 61' ' ' VAL . 5.2 m -95.47 160.8 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -133.93 115.5 14.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.635 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -62.05 118.95 7.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.094 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.428 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -100.49 151.24 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 163.37 -80.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -119.56 -64.15 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 111.014 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.52 164.85 25.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.371 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.96 31.86 3.25 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 36.6 ttt-85 -139.1 51.44 1.79 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 110.336 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.12 58.33 1.77 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.7 p30 -99.05 132.32 44.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 109.26 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -161.42 159.48 28.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 45.3 m95 -81.37 144.96 31.08 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.441 HG12 ' CG1' ' A' ' 18' ' ' VAL . 16.1 m -133.39 -171.62 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.246 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.4 p -123.12 169.58 11.08 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.385 1.053 . . . . 0.0 110.377 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 66' ' ' LEU . 3.7 t-160 -60.32 -45.12 94.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.578 1.174 . . . . 0.0 109.641 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -46.7 -32.84 3.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 110.234 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.463 ' CG ' ' HB3' ' A' ' 19' ' ' LEU . 7.2 mtt180 -83.72 -28.94 27.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.239 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 63' ' ' HIS . 46.2 mt -72.37 117.47 14.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.367 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -104.35 73.23 1.1 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.447 ' CD2' HD21 ' A' ' 16' ' ' LEU . 3.3 mt -52.01 -21.27 2.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -67.22 -9.57 41.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -133.79 18.02 3.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.357 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.443 HD11 ' CE1' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -59.01 168.25 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 73' ' ' PHE . 15.4 mt-30 -154.88 61.64 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.321 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.605 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 30.4 m-85 -37.19 152.44 0.12 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.953 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 75' ' ' LYS . 18.1 Cg_endo -75.14 146.73 32.51 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 74' ' ' PRO . 36.0 tttt 39.04 67.59 0.42 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.454 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 6.4 pttt -86.11 67.17 9.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -101.93 76.42 1.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 110.26 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -164.9 164.31 20.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.4 mttp -129.04 121.2 27.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.359 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 2' ' ' SER . 41.5 p -132.44 147.1 64.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.363 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 167.26 27.45 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.499 1.789 . . . . 0.0 111.031 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.9 138.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.994 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -139.38 -145.82 4.8 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 167.47 26.94 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.5 1.789 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.4 m 62.13 89.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.021 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.6 p -154.88 86.37 1.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 110.047 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.422 1.076 . . . . 0.0 111.007 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -130.25 164.34 24.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 0.737 . . . . 0.0 110.029 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.7 p 179.25 111.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.032 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.27 -167.89 11.14 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.516 1.135 . . . . 0.0 111.036 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.87 174.58 9.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 110.036 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -105.29 -61.27 1.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.96 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . -162.69 47.19 0.33 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.465 1.103 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -37.71 -80.7 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -134.79 128.85 33.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 0.749 . . . . 0.0 110.28 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.444 HD13 ' CD1' ' A' ' 71' ' ' ILE . 6.6 mm -66.38 113.9 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.7 pp -115.75 170.24 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -73.27 123.36 23.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.256 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.48 -27.48 6.9 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.529 1.143 . . . . 0.0 110.966 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.578 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 19.9 m -52.21 138.28 26.45 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.401 ' CD ' HD12 ' A' ' 31' ' ' LEU . 3.3 mtm105 -116.05 121.29 41.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.551 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -147.61 154.83 45.08 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 107.82 2.57 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.436 1.756 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 49.6 t -90.85 111.47 23.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.406 1.067 . . . . 0.0 109.267 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.6 tp -43.31 143.72 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.356 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -155.99 106.18 2.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.5 mtt180 -86.92 103.04 14.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.368 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -66.58 179.44 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -50.9 -47.62 60.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 14.1 m-20 -54.62 -26.28 31.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 4.3 t30 81.45 43.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -105.82 100.69 10.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 1.068 . . . . 0.0 110.328 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.448 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 8.4 p-10 -44.22 100.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -97.42 171.71 8.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.432 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.8 m95 -147.32 64.69 8.94 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 107.979 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.432 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.1 Cg_endo -75.04 153.44 41.58 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.467 1.772 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.416 HD11 ' N ' ' A' ' 32' ' ' ALA . 0.5 OUTLIER -68.83 128.4 36.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.416 ' N ' HD11 ' A' ' 31' ' ' LEU . . . -133.13 146.78 51.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -114.39 137.47 51.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 110.241 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.8 mm -71.23 133.26 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.2 mt -113.02 -57.34 2.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.74 144.48 31.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.04 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.469 HG12 ' CE2' ' A' ' 46' ' ' PHE . 72.6 t -107.75 168.59 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.452 ' CD ' HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -159.03 -179.27 7.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 0.0 109.308 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.471 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.3 OUTLIER -157.26 118.14 3.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.452 HD12 ' CD ' ' A' ' 38' ' ' LYS . 26.1 mm -123.1 86.16 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.71 51.92 4.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 110.002 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.25 -23.83 16.57 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.555 1.159 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.501 ' CD ' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -78.71 91.95 4.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 0.789 . . . . 0.0 110.268 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 1.7 mtmt -76.55 125.8 29.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.501 ' CD1' ' CD ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -104.75 154.24 20.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.574 ' CZ ' ' HB3' ' A' ' 44' ' ' LYS . 27.8 m-85 -147.1 120.63 9.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 58' ' ' ASP . 6.7 t80 -81.17 93.41 6.46 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.458 HG13 ' CG2' ' A' ' 61' ' ' VAL . 21.8 m -95.62 153.47 3.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -127.61 115.91 19.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 109.591 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -59.76 121.37 11.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.957 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.413 ' CD1' HD13 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -106.87 176.69 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' ILE . 36.7 t70 40.53 42.63 1.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.443 ' O ' ' CD1' ' A' ' 57' ' ' LEU . 2.1 t80 -174.07 89.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 59.95 -171.81 0.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -133.88 176.09 8.88 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.493 1.12 . . . . 0.0 110.256 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.9 46.49 19.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.443 ' CD1' ' O ' ' A' ' 53' ' ' PHE . 1.1 mt -122.83 87.52 2.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -130.74 120.25 23.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.287 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -153.85 151.03 29.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 0.0 110.354 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 63.3 m95 -74.56 153.49 39.02 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.458 ' CG2' HG13 ' A' ' 48' ' ' VAL . 19.2 m -143.14 -174.84 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.5 p -118.96 -179.76 3.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.427 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.427 ' O ' ' N ' ' A' ' 66' ' ' LEU . 0.8 OUTLIER -73.46 -41.17 63.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.581 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -43.93 -43.68 6.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.278 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -75.67 -31.53 59.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.312 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.47 ' CD2' HD23 ' A' ' 16' ' ' LEU . 36.0 mt -65.71 112.99 3.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.371 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.402 ' C ' ' N ' ' A' ' 69' ' ' LYS . 10.1 t0 -98.63 71.94 1.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.474 ' CD2' HD21 ' A' ' 16' ' ' LEU . 3.6 mt -51.38 -21.36 2.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 67' ' ' ASP . 4.4 mttt -66.23 -9.93 37.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.5 mttp -131.58 13.67 4.95 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.444 ' CD1' HD13 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -54.72 159.91 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 73' ' ' PHE . 31.7 mt-30 -147.39 61.87 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.33 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.578 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 26.9 m-85 -36.73 153.77 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 157.12 43.15 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.531 1.806 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -93.89 85.94 4.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.81 139.14 39.43 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.79 79.93 6.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 110.327 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.42 -65.66 0.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.26 85.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 45.0 p -132.51 157.71 77.57 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.362 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 148.92 35.65 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.46 1.768 . . . . 0.0 110.961 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.8 t -166.19 140.23 4.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.928 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 115.38 -108.45 1.9 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.451 1.094 . . . . 0.0 110.98 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 177.96 7.86 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.596 1.84 . . . . 0.0 111.038 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 38.5 t 62.45 118.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.089 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.7 m -71.15 156.81 39.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.008 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.559 1.162 . . . . 0.0 111.022 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 p -74.08 168.58 19.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 0.77 . . . . 0.0 109.967 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.49 -60.35 0.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.17 121.99 0.88 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.0 p -92.97 159.27 15.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 0.81 . . . . 0.0 110.027 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 57.92 91.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . 40.27 48.52 3.65 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -37.82 -79.76 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -136.97 131.36 32.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 0.796 . . . . 0.0 110.364 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.568 HG21 ' CD2' ' A' ' 46' ' ' PHE . 6.9 mm -67.08 107.24 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.9 pp -105.95 171.34 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -76.31 122.93 25.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.42 -25.68 7.64 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.9 m -53.64 142.59 22.57 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -118.96 120.5 37.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 110.343 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.55 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.06 154.44 42.96 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 107.98 2.61 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.556 1.819 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.7 t -90.43 113.19 26.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.407 1.067 . . . . 0.0 109.267 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.5 tp -45.26 130.23 8.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.502 ' HG3' ' CZ ' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -147.08 111.38 5.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -81.97 109.65 16.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.325 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -72.32 -179.96 3.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.416 1.073 . . . . 0.0 109.248 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.4 ' C ' ' N ' ' A' ' 25' ' ' ASN . 4.5 tp60 -46.6 -58.12 4.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 110.304 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 82.9 m-20 -47.21 -25.22 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 4.0 t-20 82.03 38.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 28' ' ' GLU . 33.2 mt-10 -103.38 107.23 17.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -45.84 95.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 26' ' ' GLU . 12.0 tt0 -91.39 168.97 11.17 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.12 . . . . 0.0 110.307 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.417 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 98.4 m95 -137.85 65.29 45.28 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.417 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -75.06 148.73 35.46 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.451 1.764 . . . . 0.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.37 130.21 42.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 0.0 109.23 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.411 ' CA ' HD13 ' A' ' 51' ' ' ILE . . . -134.69 148.87 50.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -116.84 133.73 55.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.1 mm -65.5 145.26 14.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.3 mt -124.62 -48.4 1.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.89 143.91 20.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 110.043 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 38' ' ' LYS . 67.8 t -108.28 168.23 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.479 ' CD ' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -157.95 -176.35 5.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.473 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.6 OUTLIER -159.41 120.67 3.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 109.312 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.479 HD11 ' CD ' ' A' ' 38' ' ' LYS . 13.0 mm -125.41 91.52 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.24 42.82 17.87 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 109.98 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.86 -24.52 30.69 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.129 . . . . 0.0 111.044 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.479 ' CD ' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -75.72 91.89 2.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 110.291 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.582 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -75.33 125.36 28.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.479 ' CD1' ' CD ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -105.05 154.44 20.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.353 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.582 ' CZ ' ' HB3' ' A' ' 44' ' ' LYS . 21.6 m-85 -147.4 115.81 6.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.999 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 58' ' ' ASP . 6.3 t80 -76.88 92.39 3.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.942 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.433 ' CG2' HG23 ' A' ' 61' ' ' VAL . 23.8 m -95.6 148.96 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.566 1.166 . . . . 0.0 109.357 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -125.54 116.16 21.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.581 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.502 ' CZ ' ' HG3' ' A' ' 20' ' ' ARG . 25.2 m-85 -58.2 142.13 48.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.598 1.186 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.411 HD13 ' CA ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -126.89 6.43 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -116.23 -68.16 0.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -102.21 158.8 15.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 24.6 p30 -110.87 146.67 36.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.643 1.214 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.5 tpt85 178.13 -44.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -149.25 61.42 1.04 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.253 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' ARG . 8.9 mt -40.17 120.76 1.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.243 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 47' ' ' TYR . 2.5 m-20 60.42 111.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -157.78 159.86 37.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -88.92 142.31 27.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 108.015 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.433 HG23 ' CG2' ' A' ' 48' ' ' VAL . 27.5 m -138.48 -176.66 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.35 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.4 p -112.12 177.8 4.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 0.0 110.426 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.571 ' CD2' ' O ' ' A' ' 63' ' ' HIS . 22.6 t-160 -79.49 1.71 24.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.616 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -82.58 -44.11 16.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.241 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.45 -23.62 53.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.42 ' CD2' HD23 ' A' ' 16' ' ' LEU . 38.6 mt -68.34 105.84 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.402 1.064 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.403 ' C ' ' N ' ' A' ' 69' ' ' LYS . 12.3 t0 -92.72 72.58 4.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.27 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.412 ' CD2' HD21 ' A' ' 16' ' ' LEU . 3.7 mt -51.27 -21.52 2.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 67' ' ' ASP . 8.3 mttt -66.64 -9.6 37.44 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.553 1.158 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.2 mttp -134.2 21.22 3.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.45 HG13 ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -64.24 162.88 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 109.37 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -148.71 65.25 1.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -38.39 154.22 0.14 Allowed Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.557 1.161 . . . . 0.0 110.951 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 151.07 38.85 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.47 1.774 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -72.27 140.98 48.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.396 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.88 135.61 15.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.77 148.42 50.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.267 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -99.77 118.07 35.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -151.57 -78.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.209 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.9 m 72.28 145.23 0.11 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 110.432 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 96.21 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 0.0 111.075 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.41 111.41 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.032 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 148.87 -99.73 0.2 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.418 1.074 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 99.22 1.23 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.508 1.794 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.9 t -112.73 126.4 55.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.98 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 67.3 m 56.67 101.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 110.005 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.572 1.17 . . . . 0.0 111.047 179.976 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -38.08 -75.73 0.08 OUTLIER Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.449 ' O ' HG23 ' A' ' 11' ' ' ILE . 4.1 pt-20 -137.86 131.36 30.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 0.761 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.674 HD11 HD22 ' A' ' 68' ' ' LEU . 9.6 mm -69.36 108.24 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.661 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.3 pp -106.64 166.68 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.421 1.076 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.517 ' N ' HD12 ' A' ' 11' ' ' ILE . 49.4 mt-10 -70.83 124.48 24.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.42 -28.6 6.46 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.5 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 19.6 m -52.13 137.77 27.13 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.54 121.26 42.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.322 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.825 ' N ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.92 156.0 40.72 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.237 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.45 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.2 Cg_endo -74.97 108.35 2.7 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.452 1.764 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.816 HG11 HG11 ' A' ' 61' ' ' VAL . 53.9 t -91.57 112.02 24.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.392 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.9 tp -42.31 144.78 0.45 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -164.96 108.78 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -80.63 107.79 13.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -68.6 177.68 2.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.414 1.071 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.431 ' C ' ' N ' ' A' ' 25' ' ' ASN . 1.3 tt0 -44.72 -62.06 1.35 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 8.4 m-20 -42.6 -28.02 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 21.3 t30 82.9 48.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 27' ' ' ASP . 45.2 mt-10 -114.91 106.28 13.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.425 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 8.7 p-10 -39.92 101.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.61 1.194 . . . . 0.0 109.227 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -96.52 170.97 8.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.366 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.425 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.8 m95 -145.62 65.03 10.99 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.479 1.112 . . . . 0.0 108.008 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.45 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 18.1 Cg_endo -74.99 154.08 42.28 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.47 1.774 . . . . 0.0 110.946 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.455 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -71.34 128.16 34.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.587 ' HB1' ' HB ' ' A' ' 48' ' ' VAL . . . -133.01 148.68 52.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 109.369 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -115.44 134.65 54.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.578 HD13 HG12 ' A' ' 48' ' ' VAL . 5.4 mm -67.11 139.62 20.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.424 HD23 ' O ' ' A' ' 34' ' ' ILE . 47.2 mt -119.21 -50.19 2.36 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.31 150.22 30.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.795 HG22 ' HD2' ' A' ' 46' ' ' PHE . 94.5 t -113.19 167.91 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.586 ' HE3' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -160.13 -179.25 7.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.51 124.03 3.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.691 HD12 HD22 ' A' ' 45' ' ' LEU . 13.0 mt -127.3 70.28 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.89 53.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.13 -26.46 8.69 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.651 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -77.3 83.77 3.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.75 . . . . 0.0 110.278 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -70.78 129.19 38.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 109.312 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.691 HD22 HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -109.37 144.8 37.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.795 ' HD2' HG22 ' A' ' 37' ' ' VAL . 25.7 m-85 -138.47 124.78 20.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -86.44 93.15 9.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.676 HG21 HG21 ' A' ' 18' ' ' VAL . 15.6 m -95.91 154.32 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 30.3 t60 -127.45 115.91 19.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.636 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -58.63 131.26 50.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 111.021 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.455 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.264 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 83.9 m95 -74.81 148.83 39.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 107.974 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.816 HG11 HG11 ' A' ' 18' ' ' VAL . 35.2 m -139.72 -171.72 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.3 p -122.57 174.11 7.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.392 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.564 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.6 OUTLIER -69.4 -41.01 76.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.649 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -47.42 -32.14 4.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 110.25 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -86.77 -26.28 24.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.58 1.175 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.583 HD11 ' CD1' ' A' ' 46' ' ' PHE . 71.6 mt -71.48 108.87 5.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -94.49 73.62 3.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.674 HD22 HD11 ' A' ' 10' ' ' ILE . 4.0 mt -51.82 -21.48 2.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -67.32 -9.14 38.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -134.54 24.24 3.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.616 HG13 HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -68.9 163.76 3.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 73' ' ' PHE . 35.1 mt-30 -150.6 63.69 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.5 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 26.6 m-85 -37.43 153.88 0.11 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.08 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.139 0 O-C-N 124.534 1.807 . . . . 0.0 111.012 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -37.68 -79.12 0.04 OUTLIER Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.474 ' O ' HG23 ' A' ' 11' ' ' ILE . 4.5 pt-20 -136.03 129.69 32.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.798 HD11 HD22 ' A' ' 68' ' ' LEU . 7.2 mm -66.93 113.68 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.607 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.6 pp -115.47 171.94 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.532 ' N ' HD12 ' A' ' 11' ' ' ILE . 48.9 mt-10 -73.94 124.67 26.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.33 -30.6 5.95 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.433 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 24.3 m -50.26 135.63 21.15 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.406 ' CD ' HD11 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -113.76 122.86 48.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.107 . . . . 0.0 110.291 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.842 ' N ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -149.38 154.58 38.77 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 113.51 3.81 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.48 1.779 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.747 HG11 HG11 ' A' ' 61' ' ' VAL . 68.2 t -91.77 107.54 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.411 HD13 ' CZ2' ' A' ' 29' ' ' TRP . 7.8 tp -40.05 149.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -165.4 108.4 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.428 ' CG ' ' OD1' ' A' ' 27' ' ' ASP . 9.0 mtt180 -83.52 103.26 12.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.348 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -66.73 178.66 1.25 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.416 ' C ' ' N ' ' A' ' 25' ' ' ASN . 36.8 tt0 -46.52 -58.36 3.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.591 1.182 . . . . 0.0 110.258 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 1.2 m-20 -46.76 -25.48 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 3.1 t-20 82.65 38.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 28' ' ' GLU . 32.7 mt-10 -103.25 98.72 8.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.428 ' OD1' ' CG ' ' A' ' 21' ' ' ARG . 29.5 m-20 -40.22 98.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 109.376 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 26' ' ' GLU . 16.5 tt0 -91.31 169.71 10.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.411 ' CZ2' HD13 ' A' ' 19' ' ' LEU . 98.2 m95 -141.31 65.36 21.56 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.406 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.2 Cg_endo -75.06 126.19 9.77 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.464 1.77 . . . . 0.0 110.968 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.695 HD13 ' N ' ' A' ' 32' ' ' ALA . 1.0 OUTLIER -49.93 150.06 2.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.261 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.695 ' N ' HD13 ' A' ' 31' ' ' LEU . . . -153.4 174.55 14.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -138.53 135.86 35.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.5 mm -71.0 138.16 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.51 HD11 ' HB2' ' A' ' 49' ' ' HIS . 26.5 mt -117.01 -45.38 2.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.85 145.38 17.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.95 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.797 HG22 ' HD2' ' A' ' 46' ' ' PHE . 97.3 t -107.15 167.94 3.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.404 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.55 ' N ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -158.49 -177.62 6.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -161.9 124.07 2.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.681 HD12 HD22 ' A' ' 45' ' ' LEU . 8.0 mt -126.02 73.74 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.19 51.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.398 1.061 . . . . 0.0 110.015 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.7 -28.91 9.18 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.64 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -75.16 87.75 2.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.601 0.824 . . . . 0.0 110.333 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -74.3 127.55 33.28 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.424 1.077 . . . . 0.0 109.325 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.681 HD22 HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -107.26 148.29 29.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.797 ' HD2' HG22 ' A' ' 37' ' ' VAL . 27.2 m-85 -141.92 113.31 7.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.431 1.082 . . . . 0.0 111.042 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.408 ' CD2' HD12 ' A' ' 35' ' ' LEU . 5.1 t80 -75.03 95.52 3.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.586 HG21 HG21 ' A' ' 18' ' ' VAL . 15.9 m -96.0 163.47 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.51 ' HB2' HD11 ' A' ' 35' ' ' LEU . 25.5 t60 -127.25 118.16 23.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.412 1.07 . . . . 0.0 109.618 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -66.6 112.13 3.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -78.6 149.28 32.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 107.973 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.747 HG11 HG11 ' A' ' 18' ' ' VAL . 34.9 m -141.82 -178.37 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 49.6 p -114.21 176.47 5.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 110.403 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.608 ' HA ' HD12 ' A' ' 66' ' ' LEU . 1.5 t60 -77.1 -13.99 59.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.6 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -68.03 -31.31 70.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -88.99 -28.54 20.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 110.307 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 63' ' ' HIS . 75.7 mt -63.32 116.34 5.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -103.21 73.36 1.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.112 . . . . 0.0 109.242 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.798 HD22 HD11 ' A' ' 10' ' ' ILE . 3.9 mt -51.47 -21.5 2.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.5 mttm -66.0 -10.36 38.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -131.5 14.66 4.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.606 HG13 HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -56.08 159.16 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 73' ' ' PHE . 37.4 mt-30 -146.99 63.27 1.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.247 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.433 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 25.5 m-85 -37.21 152.75 0.11 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 111.004 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.204 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 179.975 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -37.99 -81.62 0.02 OUTLIER Glycine 0 CA--C 1.531 1.085 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 11' ' ' ILE . 2.4 pt-20 -138.62 134.34 33.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 0.794 . . . . 0.0 110.292 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.851 HD11 HD22 ' A' ' 68' ' ' LEU . 7.1 mm -68.16 108.64 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.57 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.8 pp -112.8 170.73 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.485 ' O ' HD12 ' A' ' 11' ' ' ILE . 49.2 mt-10 -71.74 122.99 21.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.5 -29.42 6.38 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 110.947 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.47 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 14.8 m -50.93 138.27 19.45 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -116.07 120.04 37.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.824 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -147.68 156.04 44.96 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.457 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.5 Cg_endo -74.96 107.02 2.39 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.427 1.751 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.799 HG11 HG11 ' A' ' 61' ' ' VAL . 50.1 t -90.02 114.45 27.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.443 1.09 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.437 ' HB3' ' CG ' ' A' ' 65' ' ' ARG . 5.3 tp -47.1 149.18 0.98 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.414 1.071 . . . . 0.0 109.201 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 -162.41 106.3 1.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.424 ' NE ' ' OD2' ' A' ' 27' ' ' ASP . 35.6 mtt180 -85.35 103.47 14.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 -66.23 179.16 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -52.04 -48.06 64.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.258 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.477 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 8.3 m-20 -57.57 -22.2 43.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 20.9 t30 80.93 42.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 28' ' ' GLU . 34.3 mt-10 -103.01 89.32 3.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.424 ' OD2' ' NE ' ' A' ' 21' ' ' ARG . 5.1 m-20 -42.64 97.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 26' ' ' GLU . 12.3 tt0 -94.42 169.18 10.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.266 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.427 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.4 m95 -139.14 65.01 35.01 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.457 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -74.99 154.5 42.59 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.521 1.8 . . . . 0.0 110.996 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.434 ' HA ' HD22 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -70.65 128.97 37.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.469 ' HB1' ' HB ' ' A' ' 48' ' ' VAL . . . -133.35 146.36 51.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -113.86 135.41 54.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.246 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.696 HD13 HG12 ' A' ' 48' ' ' VAL . 7.2 mm -68.32 144.05 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.531 HD23 ' O ' ' A' ' 34' ' ' ILE . 41.2 mt -124.66 -50.71 1.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.7 145.46 25.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.013 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.65 HG22 ' HD2' ' A' ' 46' ' ' PHE . 89.3 t -110.62 168.0 4.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.549 ' N ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -160.62 -175.87 5.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.402 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.9 OUTLIER -160.9 119.88 2.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.464 1.103 . . . . 0.0 109.383 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.679 HD12 HD22 ' A' ' 45' ' ' LEU . 11.7 mt -121.14 73.11 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 72.5 54.23 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.94 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.14 -28.26 6.85 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.536 1.147 . . . . 0.0 110.949 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.648 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -75.57 84.85 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 0.737 . . . . 0.0 110.321 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.581 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -69.81 126.63 30.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.679 HD22 HD12 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -104.88 152.6 22.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.65 ' HD2' HG22 ' A' ' 37' ' ' VAL . 21.3 m-85 -145.5 117.65 8.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -79.2 91.82 5.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.555 1.159 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.696 HG12 HD13 ' A' ' 34' ' ' ILE . 11.4 m -95.86 154.7 3.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -130.7 115.86 17.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.616 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -58.82 130.09 45.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.406 HD13 ' HA ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.305 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -77.02 139.14 39.97 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.799 HG11 HG11 ' A' ' 18' ' ' VAL . 32.6 m -128.75 -171.79 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.2 p -123.11 174.52 7.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.405 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.704 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -65.78 -44.53 85.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 109.605 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -45.87 -36.78 5.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.292 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.702 ' HB3' HG13 ' A' ' 18' ' ' VAL . 2.6 mtt180 -77.55 -31.47 53.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.092 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.704 HD12 ' HA ' ' A' ' 63' ' ' HIS . 29.4 mt -69.64 115.17 8.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.41 ' C ' ' N ' ' A' ' 69' ' ' LYS . 5.3 t0 -102.39 72.69 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.351 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.851 HD22 HD11 ' A' ' 10' ' ' ILE . 2.9 mt -50.82 -21.43 1.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.41 ' N ' ' C ' ' A' ' 67' ' ' ASP . 0.8 OUTLIER -65.35 -9.82 27.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.2 mttp -135.44 21.77 3.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.615 HD11 HD13 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -63.44 166.06 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 73' ' ' PHE . 14.1 mt-30 -153.3 62.28 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.074 . . . . 0.0 110.331 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.47 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 29.8 m-85 -36.72 153.43 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.936 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.552 1.817 . . . . 0.0 111.024 179.932 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -37.15 -81.14 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.436 ' O ' HG23 ' A' ' 11' ' ' ILE . 3.8 pt-20 -136.33 131.67 34.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 0.747 . . . . 0.0 110.25 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.786 HD11 HD22 ' A' ' 68' ' ' LEU . 7.6 mm -68.13 111.68 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.36 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.643 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.5 pp -114.67 172.53 3.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.536 ' N ' HD12 ' A' ' 11' ' ' ILE . 61.1 mt-10 -74.5 123.49 24.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.266 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.66 -27.01 7.39 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.46 1.1 . . . . 0.0 110.923 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.539 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 22.0 m -52.89 137.52 32.07 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.411 ' HB2' ' NH1' ' A' ' 15' ' ' ARG . 3.5 mtm105 -115.73 120.36 39.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 110.325 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.828 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -147.37 155.67 46.06 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.256 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.2 Cg_endo -75.04 108.24 2.67 Favored 'Trans proline' 0 C--N 1.362 1.262 0 O-C-N 124.488 1.783 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.753 HG11 HG11 ' A' ' 61' ' ' VAL . 43.4 t -93.69 125.71 46.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 32.0 tp -42.54 145.28 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.4 ttt85 -160.02 100.49 1.4 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.477 1.111 . . . . 0.0 110.274 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -85.44 105.96 16.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -66.94 172.76 4.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -53.75 -25.29 18.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.341 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 4.8 m-20 -74.71 -21.58 59.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.341 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 25.9 t30 81.16 38.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 0.0 109.325 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 28' ' ' GLU . 33.3 mt-10 -106.37 91.88 3.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -41.14 97.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 26' ' ' GLU . 15.6 tt0 -92.76 169.15 10.7 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.462 1.101 . . . . 0.0 110.258 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.45 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.4 m95 -136.21 63.89 51.6 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 107.988 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.467 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -74.98 150.39 38.16 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.491 1.785 . . . . 0.0 110.962 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.484 ' HA ' HD22 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -64.02 133.25 52.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.439 ' N ' HD13 ' A' ' 31' ' ' LEU . . . -135.21 143.09 46.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.437 1.086 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -112.79 131.46 55.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.704 HD13 HG12 ' A' ' 48' ' ' VAL . 4.5 mm -67.47 140.66 18.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 37.4 mt -119.62 -53.16 2.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.0 145.18 26.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.957 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.765 HG22 ' HD2' ' A' ' 46' ' ' PHE . 91.1 t -109.59 167.97 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.958 ' HE2' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -160.25 -176.37 5.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.418 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -159.62 122.08 3.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.253 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.958 HD11 ' HE2' ' A' ' 38' ' ' LYS . 90.0 mt -141.84 102.99 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.55 47.58 2.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.963 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.27 6.55 47.9 Favored Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.459 1.099 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.69 ' HD2' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -101.73 84.03 2.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 110.325 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -62.66 127.54 31.77 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.407 1.067 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.69 HD13 ' HD2' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -105.21 154.15 20.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.765 ' HD2' HG22 ' A' ' 37' ' ' VAL . 27.0 m-85 -147.25 116.85 7.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -80.46 90.04 5.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.406 1.066 . . . . 0.0 110.947 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.704 HG12 HD13 ' A' ' 34' ' ' ILE . 4.9 m -95.97 153.66 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.315 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -125.47 116.09 21.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.583 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -59.92 129.78 43.53 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 86.4 m95 -86.79 128.58 35.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 107.986 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.753 HG11 HG11 ' A' ' 18' ' ' VAL . 18.2 m -121.67 -171.63 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.632 1.208 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 76.3 p -119.95 179.73 4.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.417 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.61 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -75.35 -41.12 57.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.587 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -50.19 -26.22 4.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.451 ' HB3' HG13 ' A' ' 18' ' ' VAL . 16.9 mtt85 -89.39 -24.34 21.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' ' 63' ' ' HIS . 63.0 mt -73.61 112.25 9.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -97.64 74.14 2.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.232 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.786 HD22 HD11 ' A' ' 10' ' ' ILE . 3.4 mt -53.05 -20.27 3.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.127 . . . . 0.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -68.11 -8.36 37.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -135.99 22.66 3.29 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.631 HG13 HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -65.68 160.0 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 73' ' ' PHE . 4.1 mt-30 -146.66 62.69 1.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.539 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 26.5 m-85 -36.89 153.92 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.036 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.484 1.781 . . . . 0.0 110.928 -179.977 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -39.92 -83.05 0.01 OUTLIER Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.457 ' O ' HG23 ' A' ' 11' ' ' ILE . 3.9 pt-20 -138.14 132.42 31.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 110.322 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.837 HD11 HD22 ' A' ' 68' ' ' LEU . 6.6 mm -66.32 111.19 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.564 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.9 pp -114.19 170.11 4.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.427 ' O ' HD12 ' A' ' 11' ' ' ILE . 55.1 mt-10 -72.79 123.22 22.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.19 -30.84 5.68 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.9 m -51.49 141.12 16.45 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.408 ' CD ' HD11 ' A' ' 31' ' ' LEU . 5.5 mtt180 -117.53 122.11 42.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.365 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.841 ' N ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.75 154.42 40.5 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.2 Cg_endo -75.06 107.5 2.5 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.508 1.794 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.946 HG11 HG11 ' A' ' 61' ' ' VAL . 43.3 t -90.0 114.5 27.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.8 tp -41.94 138.23 1.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.243 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.447 ' CZ ' ' HA ' ' A' ' 22' ' ' ASN . 0.2 OUTLIER -152.53 112.64 4.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -90.71 96.61 10.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 110.316 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.447 ' HA ' ' CZ ' ' A' ' 20' ' ' ARG . 3.5 p30 -58.77 176.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.421 ' C ' ' N ' ' A' ' 25' ' ' ASN . 1.6 mt-30 -45.63 -58.29 3.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.235 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.504 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 1.7 m-20 -46.42 -25.55 0.68 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 2.0 t-20 82.11 43.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.354 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 28' ' ' GLU . 29.1 mt-10 -107.01 98.82 8.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.238 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.41 98.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 26' ' ' GLU . 14.2 tt0 -94.5 169.14 10.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.571 1.169 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.425 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 98.0 m95 -138.57 64.84 38.61 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.454 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 18.4 Cg_endo -74.96 152.37 40.89 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.531 1.806 . . . . 0.0 111.006 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.487 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.6 OUTLIER -69.63 129.28 39.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.513 ' HB1' ' HB ' ' A' ' 48' ' ' VAL . . . -134.8 145.25 48.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.354 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -111.9 137.01 50.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.361 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.523 HD13 HG12 ' A' ' 48' ' ' VAL . 4.7 mm -69.33 136.66 25.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 47.5 mt -116.41 -52.33 2.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.79 144.82 24.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.971 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.763 HG22 ' HD2' ' A' ' 46' ' ' PHE . 88.6 t -108.46 168.09 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.987 ' HE2' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -160.1 -177.56 6.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.148 . . . . 0.0 109.245 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.425 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.4 OUTLIER -158.85 121.04 3.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.987 HD11 ' HE2' ' A' ' 38' ' ' LYS . 80.1 mt -141.09 110.8 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.07 48.98 9.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.934 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 67.28 7.85 47.48 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.686 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -104.34 94.09 5.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 0.756 . . . . 0.0 110.283 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.588 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -70.56 127.35 32.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.4 1.063 . . . . 0.0 109.257 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.686 HD13 ' CD ' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -105.84 152.5 23.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.763 ' HD2' HG22 ' A' ' 37' ' ' VAL . 23.2 m-85 -145.75 119.6 9.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -81.41 91.1 6.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.973 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.639 HG21 HG21 ' A' ' 18' ' ' VAL . 11.9 m -96.0 154.18 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -129.16 115.89 18.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.574 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -59.07 131.11 50.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.487 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -87.64 140.98 28.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 107.973 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.946 HG11 HG11 ' A' ' 18' ' ' VAL . 28.5 m -130.66 -171.61 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.4 p -122.28 170.9 9.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -62.31 -46.33 89.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.539 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -48.17 -28.01 2.73 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 110.358 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.745 ' HB3' HG13 ' A' ' 18' ' ' VAL . 3.3 mtt180 -85.18 -28.42 25.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.161 . . . . 0.0 110.305 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.642 HD11 ' CD1' ' A' ' 46' ' ' PHE . 38.4 mt -74.34 115.56 13.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.407 ' C ' ' N ' ' A' ' 69' ' ' LYS . 12.1 t0 -100.89 73.14 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.837 HD22 HD11 ' A' ' 10' ' ' ILE . 3.3 mt -50.81 -21.54 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 67' ' ' ASP . 9.8 mttt -64.52 -10.94 29.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.224 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -134.42 21.84 3.69 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.629 HD11 HD13 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -62.22 156.73 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.535 ' O ' ' CG ' ' A' ' 72' ' ' GLN . 3.3 tt0 -143.31 71.01 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -45.89 151.77 0.83 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 111.029 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.194 0 O-C-N 124.498 1.788 . . . . 0.0 111.051 179.958 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -38.5 -78.21 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 11' ' ' ILE . 4.1 pt-20 -136.18 130.06 32.61 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.469 0.747 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.722 HD11 HD22 ' A' ' 68' ' ' LEU . 10.4 mm -67.63 108.09 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 109.377 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.567 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.7 pp -106.14 169.45 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.491 ' O ' HD12 ' A' ' 11' ' ' ILE . 48.4 mt-10 -73.72 124.79 26.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.33 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.48 -29.6 6.07 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.547 1.154 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.573 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 31.5 m -51.92 136.39 28.64 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.4 mtm105 -114.47 121.29 43.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 0.0 110.305 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.822 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.14 156.3 43.41 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.371 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.463 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.4 Cg_endo -74.91 108.34 2.69 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.526 1.803 . . . . 0.0 111.043 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.739 HG21 HG21 ' A' ' 48' ' ' VAL . 54.0 t -91.52 114.54 28.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.1 tp -46.84 129.33 11.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 109.358 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.559 ' HD2' ' CE2' ' A' ' 50' ' ' TYR . 16.5 ttt-85 -147.79 112.19 5.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -85.76 111.26 19.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 25' ' ' ASN . 10.2 p30 -73.23 -179.96 3.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 1.076 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -44.31 -60.5 1.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 110.273 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.506 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 36.0 m-20 -45.62 -27.42 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 24.5 t30 82.05 42.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 28' ' ' GLU . 41.2 mt-10 -105.32 107.06 17.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.432 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 7.6 p-10 -42.59 97.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' GLU . 4.6 tt0 -94.23 166.12 12.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.289 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.441 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.1 m95 -140.34 64.29 24.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.463 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 18.0 Cg_endo -75.11 156.2 42.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.522 1.801 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.524 HD12 HD11 ' A' ' 51' ' ' ILE . 0.4 OUTLIER -71.77 127.76 33.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.61 1.194 . . . . 0.0 109.346 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.636 ' HB1' ' HB ' ' A' ' 48' ' ' VAL . . . -132.82 143.17 49.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.244 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -110.98 133.52 53.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.441 1.088 . . . . 0.0 110.331 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.553 HD13 HG12 ' A' ' 48' ' ' VAL . 2.7 mm -67.72 139.31 21.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.422 HD12 ' CD2' ' A' ' 47' ' ' TYR . 34.9 mt -119.05 -46.43 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.9 144.92 20.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.385 1.053 . . . . 0.0 110.036 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.541 HG12 ' N ' ' A' ' 38' ' ' LYS . 98.7 t -106.75 167.75 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.353 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.604 ' HE2' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -159.69 -178.43 7.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -161.36 124.82 3.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.201 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.69 HD12 HD22 ' A' ' 45' ' ' LEU . 10.0 mt -128.7 77.35 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.68 49.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.989 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.27 -23.48 21.27 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.526 1.141 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.621 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -78.3 86.61 4.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 0.779 . . . . 0.0 110.31 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.589 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -71.2 129.83 39.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.69 HD22 HD12 ' A' ' 40' ' ' ILE . 0.1 OUTLIER -112.44 137.14 51.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.698 ' O ' HG22 ' A' ' 61' ' ' VAL . 8.2 m-85 -130.73 117.28 19.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.422 ' CD2' HD12 ' A' ' 35' ' ' LEU . 7.4 t80 -76.1 90.25 3.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 111.029 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.739 HG21 HG21 ' A' ' 18' ' ' VAL . 21.9 m -95.81 152.89 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -124.92 115.89 21.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.614 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.559 ' CE2' ' HD2' ' A' ' 20' ' ' ARG . 62.7 m-85 -65.17 108.99 2.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.524 HD11 HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -87.67 137.14 32.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 108.012 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.712 HG11 HG11 ' A' ' 18' ' ' VAL . 32.8 m -133.66 175.85 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.437 HG21 ' NH1' ' A' ' 43' ' ' ARG . 67.3 p -106.31 -172.9 2.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 110.446 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.698 ' HA ' HD12 ' A' ' 66' ' ' LEU . 1.2 t60 -86.1 -23.99 26.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.599 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -60.24 -32.43 71.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 110.292 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.83 -29.61 25.19 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.53 1.144 . . . . 0.0 110.263 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.698 HD12 ' HA ' ' A' ' 63' ' ' HIS . 63.1 mt -64.03 113.27 3.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.246 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.405 ' C ' ' N ' ' A' ' 69' ' ' LYS . 12.1 t0 -99.17 72.12 1.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.722 HD22 HD11 ' A' ' 10' ' ' ILE . 4.0 mt -50.71 -21.88 1.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 67' ' ' ASP . 4.0 mttm -65.39 -10.32 32.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -134.51 24.74 3.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.604 HG13 HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -67.62 160.63 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 73' ' ' PHE . 17.7 mt-30 -147.18 62.75 1.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.586 1.179 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.573 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 26.0 m-85 -37.17 154.56 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.073 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.525 1.803 . . . . 0.0 110.999 -179.955 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.531 1.078 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -37.82 -77.77 0.06 OUTLIER Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.428 ' O ' HG23 ' A' ' 11' ' ' ILE . 3.7 pt-20 -136.27 130.43 33.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.844 HD11 HD22 ' A' ' 68' ' ' LEU . 10.3 mm -69.53 110.37 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.604 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.4 pp -111.26 168.26 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.526 ' O ' HD12 ' A' ' 11' ' ' ILE . 50.7 mt-10 -72.8 124.18 24.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.36 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.36 -26.54 7.32 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.8 m -54.01 138.75 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.5 mtm105 -114.14 122.66 47.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.837 ' N ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -149.16 153.72 38.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 107.83 2.58 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.525 1.802 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.899 HG21 HG21 ' A' ' 48' ' ' VAL . 55.7 t -89.58 110.53 21.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.102 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.421 HD11 ' OD2' ' A' ' 27' ' ' ASP . 7.2 tp -42.19 130.49 3.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.133 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -140.62 113.96 8.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.242 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 45.1 mtt180 -91.71 98.81 11.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.352 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -58.67 175.26 0.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -50.38 -47.32 56.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.469 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 7.6 m-20 -56.61 -19.77 17.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.469 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 4.2 t-20 80.71 41.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 28' ' ' GLU . 32.2 mt-10 -102.77 99.89 9.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 110.351 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.421 ' OD2' HD11 ' A' ' 19' ' ' LEU . 3.6 m-20 -47.41 95.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' GLU . 17.3 tt0 -95.54 168.35 10.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.418 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 98.8 m95 -135.67 65.27 60.44 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.2 Cg_endo -75.02 143.79 29.41 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.515 1.797 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.473 ' HA ' HD22 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -56.46 135.86 54.16 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.55 1.156 . . . . 0.0 109.252 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.706 ' HB3' HG23 ' A' ' 18' ' ' VAL . . . -138.1 149.56 46.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 7.2 tt0 -124.23 134.39 53.27 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.509 ' O ' HD23 ' A' ' 35' ' ' LEU . 7.0 mm -66.66 138.0 23.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 34' ' ' ILE . 40.6 mt -121.13 -46.44 2.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.599 1.187 . . . . 0.0 109.323 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.14 141.52 19.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.0 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.8 HG22 ' HD1' ' A' ' 46' ' ' PHE . 65.9 t -106.88 167.99 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.754 ' CD ' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -159.42 -178.37 7.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.452 1.095 . . . . 0.0 109.391 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.741 ' O ' HD13 ' A' ' 40' ' ' ILE . 0.3 OUTLIER -157.84 118.37 3.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.754 HD11 ' CD ' ' A' ' 38' ' ' LYS . 25.5 mm -124.71 92.03 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.262 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.84 46.61 11.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.966 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.85 -22.49 28.21 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.504 1.128 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.703 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -78.24 93.84 4.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.397 0.704 . . . . 0.0 110.361 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 1.7 mtmt -76.19 126.22 30.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.703 HD13 ' CD ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -104.94 153.74 21.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.803 ' CD2' HD11 ' A' ' 66' ' ' LEU . 33.8 m-85 -146.94 121.36 9.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.58 1.175 . . . . 0.0 110.991 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -81.71 91.87 6.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 110.966 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.899 HG21 HG21 ' A' ' 18' ' ' VAL . 16.5 m -95.83 141.98 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.412 ' O ' HD13 ' A' ' 51' ' ' ILE . 6.1 t60 -109.21 118.8 37.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.626 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -68.34 76.18 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.412 HD13 ' O ' ' A' ' 49' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.359 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -80.73 150.15 29.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 107.946 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.705 HG11 HG11 ' A' ' 18' ' ' VAL . 4.5 m -144.52 -174.69 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.572 1.17 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.43 HG21 ' NH1' ' A' ' 43' ' ' ARG . 16.1 p -123.7 167.26 14.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.581 1.175 . . . . 0.0 110.406 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.575 ' HA ' HD12 ' A' ' 66' ' ' LEU . 1.7 t60 -61.29 -16.54 46.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.599 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -64.14 -40.62 96.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.538 1.149 . . . . 0.0 110.346 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.96 -25.9 27.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.257 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.803 HD11 ' CD2' ' A' ' 46' ' ' PHE . 56.2 mt -68.32 110.9 4.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.41 ' O ' ' OD1' ' A' ' 67' ' ' ASP . 22.5 t0 -98.84 76.0 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.844 HD22 HD11 ' A' ' 10' ' ' ILE . 4.2 mt -54.94 -19.49 6.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.419 1.074 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -69.11 -8.17 42.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -134.44 18.03 3.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 109.256 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.479 HG13 HD23 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -60.23 163.42 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 109.267 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 73' ' ' PHE . 19.6 mt-30 -149.86 63.16 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.263 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.426 ' C ' ' O ' ' A' ' 72' ' ' GLN . 25.7 m-85 -35.89 153.07 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 111.064 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.115 0 O-C-N 124.527 1.804 . . . . 0.0 111.04 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -37.76 -77.64 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.48 ' O ' HG23 ' A' ' 11' ' ' ILE . 4.5 pt-20 -136.58 130.41 32.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 0.758 . . . . 0.0 110.354 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.849 HD11 HD22 ' A' ' 68' ' ' LEU . 7.5 mm -67.37 109.39 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.626 HD12 ' N ' ' A' ' 12' ' ' GLU . 1.7 pp -108.73 176.88 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.626 ' N ' HD12 ' A' ' 11' ' ' ILE . 64.4 mt-10 -80.16 123.18 27.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 110.333 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 117.63 -28.09 7.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.149 . . . . 0.0 111.033 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.56 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 6.1 m -51.72 140.3 19.3 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.485 ' CD ' HD11 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -115.34 120.22 38.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.822 ' N ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -147.27 152.48 42.88 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 109.265 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.443 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.1 Cg_endo -75.04 111.63 3.37 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.583 1.833 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.941 HG11 HG11 ' A' ' 61' ' ' VAL . 55.6 t -89.53 112.13 23.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.528 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 2.4 tp -43.78 148.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.87 100.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.417 1.073 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.34 143.9 46.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.576 1.172 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -78.76 -179.66 6.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.28 -17.57 8.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.092 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 3.3 m-20 -86.99 -8.84 56.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.248 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 9.6 t30 81.86 26.16 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 28' ' ' GLU . 23.7 mt-10 -92.13 87.63 6.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.469 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 19.2 m-20 -41.88 100.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 26' ' ' GLU . 11.0 tt0 -88.47 168.67 12.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.196 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.528 ' CH2' ' HB2' ' A' ' 19' ' ' LEU . 97.8 m95 -137.58 64.97 46.48 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.443 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.0 152.71 41.1 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.585 1.834 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.485 HD11 ' CD ' ' A' ' 15' ' ' ARG . 0.4 OUTLIER -66.74 132.98 49.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.539 ' HB3' HG23 ' A' ' 18' ' ' VAL . . . -138.14 140.96 40.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 12.2 tt0 -111.76 134.56 53.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.731 ' O ' HD23 ' A' ' 35' ' ' LEU . 2.2 mm -68.41 148.74 11.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.731 HD23 ' O ' ' A' ' 34' ' ' ILE . 37.4 mt -126.93 -47.31 1.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.243 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.22 143.87 16.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.013 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.588 HG22 ' HD2' ' A' ' 46' ' ' PHE . 60.2 t -107.06 168.4 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.941 ' HE3' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -160.16 179.77 8.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.415 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.8 OUTLIER -155.19 122.26 5.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.941 HD11 ' HE3' ' A' ' 38' ' ' LYS . 91.4 mt -143.77 118.26 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 109.365 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 54.44 42.55 31.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.999 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.16 1.93 57.66 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.468 1.105 . . . . 0.0 110.957 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.649 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -98.57 97.62 8.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 110.351 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -72.59 127.22 31.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.649 HD13 ' CD ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -104.61 149.19 25.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.368 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.588 ' HD2' HG22 ' A' ' 37' ' ' VAL . 27.3 m-85 -142.86 113.9 7.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 111.049 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.444 ' CD1' ' CD1' ' A' ' 60' ' ' TRP . 4.7 t80 -77.0 91.22 3.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.098 . . . . 0.0 110.987 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.797 HG21 HG21 ' A' ' 18' ' ' VAL . 11.4 m -95.64 149.51 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.452 ' HB2' HD11 ' A' ' 35' ' ' LEU . 21.6 t60 -116.29 115.46 25.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.658 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -65.38 118.18 9.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.478 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.444 ' CD1' ' CD1' ' A' ' 47' ' ' TYR . 35.7 m95 -76.89 144.16 39.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 107.988 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.941 HG11 HG11 ' A' ' 18' ' ' VAL . 23.5 m -130.69 -172.04 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.2 p -114.78 164.27 14.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.415 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.735 ' HA ' HD12 ' A' ' 66' ' ' LEU . 1.4 t60 -68.14 -10.03 51.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.602 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -74.95 -38.98 61.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.266 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -78.85 -31.7 45.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.735 HD12 ' HA ' ' A' ' 63' ' ' HIS . 31.3 mt -61.92 102.17 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 67' ' ' ASP . 13.2 t0 -89.3 78.41 7.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.849 HD22 HD11 ' A' ' 10' ' ' ILE . 1.7 mt -56.87 -18.15 12.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -67.55 -9.43 42.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.352 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.1 mttp -134.31 17.97 3.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.626 HG13 HD23 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -59.07 161.6 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.583 1.177 . . . . 0.0 109.26 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 73' ' ' PHE . 18.7 mt-30 -148.62 62.95 1.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.56 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 26.5 m-85 -36.58 153.35 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.521 1.8 . . . . 0.0 111.073 179.941 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -40.21 -79.83 0.04 OUTLIER Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.444 ' O ' HG23 ' A' ' 11' ' ' ILE . 3.4 pt-20 -137.25 131.48 32.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 0.72 . . . . 0.0 110.27 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.547 HD11 HD22 ' A' ' 68' ' ' LEU . 8.1 mm -67.85 108.57 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.515 HD12 ' O ' ' A' ' 12' ' ' GLU . 1.9 pp -108.72 172.03 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.515 ' O ' HD12 ' A' ' 11' ' ' ILE . 63.6 mt-10 -74.41 123.29 24.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.48 -34.28 4.32 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.517 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 17.8 m -47.87 139.82 7.3 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -116.45 120.86 40.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.347 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.829 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -146.96 154.41 46.88 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 110.51 3.13 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.52 1.8 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.778 HG11 HG11 ' A' ' 61' ' ' VAL . 52.5 t -91.41 113.6 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.6 tp -43.0 143.08 0.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.2 ttt85 -156.32 114.36 3.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -94.38 109.71 21.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.285 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -68.14 178.2 1.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -52.98 -45.72 67.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.142 . . . . 0.0 110.336 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 33.4 m-20 -59.87 -18.09 41.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 9.3 m-20 80.06 53.58 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -112.52 112.81 24.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 15.1 p-10 -59.28 93.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -89.83 166.81 13.3 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.42 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.0 m95 -140.91 65.23 23.03 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.2 Cg_endo -75.06 150.94 38.62 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.488 1.783 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.469 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -68.66 128.74 37.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.566 ' HB1' ' HB ' ' A' ' 48' ' ' VAL . . . -133.54 146.71 51.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -113.87 135.18 54.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 110.312 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.454 ' O ' HD23 ' A' ' 35' ' ' LEU . 4.8 mm -66.56 144.47 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 34' ' ' ILE . 57.4 mt -123.96 -53.73 1.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.81 143.26 24.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.989 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.813 HG22 ' HD2' ' A' ' 46' ' ' PHE . 97.7 t -106.17 168.05 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.545 ' N ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -158.38 -178.51 7.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.267 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -160.83 122.41 3.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.692 HD12 HD22 ' A' ' 45' ' ' LEU . 8.4 mt -126.55 74.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.238 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.45 52.18 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.975 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.94 -26.02 10.67 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.613 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -77.0 85.97 3.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 0.774 . . . . 0.0 110.342 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 2.6 mtmt -72.98 126.31 29.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.692 HD22 HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -107.26 150.22 26.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.813 ' HD2' HG22 ' A' ' 37' ' ' VAL . 16.9 m-85 -143.15 126.7 16.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.133 . . . . 0.0 111.033 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -87.61 92.62 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.412 1.07 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.736 HG21 HG21 ' A' ' 18' ' ' VAL . 26.8 m -95.72 154.76 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -129.09 115.74 18.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.628 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -59.35 125.64 24.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 111.073 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.469 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -74.15 155.74 38.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 107.989 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.778 HG11 HG11 ' A' ' 18' ' ' VAL . 21.4 m -149.33 176.93 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.5 p -108.71 171.27 7.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 110.378 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.669 ' HA ' HD12 ' A' ' 66' ' ' LEU . 1.7 t60 -69.9 -23.41 63.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 109.638 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -62.64 -35.04 78.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 0.0 110.33 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.429 ' HB3' HG13 ' A' ' 18' ' ' VAL . 0.5 OUTLIER -79.97 -32.32 39.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.716 ' HB3' HD22 ' A' ' 16' ' ' LEU . 27.8 mt -66.0 121.53 15.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -107.86 77.58 1.13 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.437 1.086 . . . . 0.0 109.273 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.783 HD23 ' N ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -55.04 -18.24 4.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.392 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -63.82 -11.56 28.24 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.01 10.51 3.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.503 HD11 ' CD1' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -45.56 167.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.434 ' N ' HG23 ' A' ' 71' ' ' ILE . 27.9 mt-30 -154.72 63.96 0.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 110.288 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.517 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 31.7 m-85 -41.51 153.46 0.26 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.187 0 O-C-N 124.479 1.779 . . . . 0.0 110.951 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.47 -71.56 1.82 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -138.2 125.13 21.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 110.345 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.949 HD11 HD22 ' A' ' 68' ' ' LEU . 13.3 mm -78.11 115.56 20.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.413 1.07 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.592 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.4 pp -115.9 168.36 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.561 ' O ' HD12 ' A' ' 11' ' ' ILE . 63.5 mt-10 -72.32 123.92 24.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 117.97 -23.59 9.27 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.2 m -56.42 138.47 51.23 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.2 mtm105 -114.44 121.13 42.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.322 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.83 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.61 155.47 41.75 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 107.37 2.47 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.527 1.804 . . . . 0.0 111.034 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.745 HG11 HG11 ' A' ' 61' ' ' VAL . 76.4 t -89.77 110.16 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 tp -42.88 139.55 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -154.43 114.69 3.88 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.425 1.078 . . . . 0.0 110.258 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 27' ' ' ASP . 24.5 mtt-85 -92.43 103.22 15.67 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.466 1.104 . . . . 0.0 110.266 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -65.27 178.68 0.86 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -50.67 -46.52 58.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.252 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 70.2 m-20 -54.53 -23.4 16.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.479 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 4.4 t30 80.5 40.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 28' ' ' GLU . 38.0 mt-10 -106.03 108.31 19.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.326 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.446 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 7.8 p-10 -48.52 95.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 26' ' ' GLU . 6.9 tt0 -91.81 163.64 13.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.427 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 96.1 m95 -137.32 64.91 48.16 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 108.032 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -74.95 140.68 25.89 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.565 1.824 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.47 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -57.42 127.78 33.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.721 ' HB3' HG23 ' A' ' 18' ' ' VAL . . . -131.64 145.39 51.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.095 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -114.37 134.51 54.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.481 HD13 HG12 ' A' ' 48' ' ' VAL . 6.3 mm -67.76 135.53 28.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.472 HD12 ' CD2' ' A' ' 47' ' ' TYR . 34.9 mt -115.6 -48.95 2.75 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.596 1.185 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.82 150.85 30.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 110.003 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.774 HG22 ' HD2' ' A' ' 46' ' ' PHE . 89.3 t -114.78 167.95 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.543 ' N ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -159.19 -176.81 6.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -163.48 124.36 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.681 HD12 HD22 ' A' ' 45' ' ' LEU . 6.9 mt -127.43 74.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 72.34 46.89 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.013 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.49 -26.36 20.18 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.533 1.145 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.617 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -76.32 85.6 3.1 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.521 0.777 . . . . 0.0 110.301 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.584 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -71.81 128.05 34.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.681 HD22 HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -109.87 139.1 45.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.774 ' HD2' HG22 ' A' ' 37' ' ' VAL . 21.7 m-85 -132.83 124.06 27.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 0.0 110.975 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.472 ' CD2' HD12 ' A' ' 35' ' ' LEU . 11.4 t80 -84.34 95.82 8.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.704 HG21 HG21 ' A' ' 18' ' ' VAL . 32.4 m -97.85 154.26 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -129.04 116.44 19.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 109.547 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -60.96 113.73 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 111.043 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.47 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -86.63 144.71 27.03 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.745 HG11 HG11 ' A' ' 18' ' ' VAL . 32.9 m -138.82 -174.48 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 51.6 p -119.74 176.72 5.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.435 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.645 ' HA ' HD12 ' A' ' 66' ' ' LEU . 1.7 t60 -73.35 -15.55 61.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.59 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -65.69 -42.46 91.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.259 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.97 -20.72 37.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' ' 63' ' ' HIS . 77.1 mt -72.8 102.39 3.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.412 ' O ' ' OD1' ' A' ' 67' ' ' ASP . 21.7 t0 -91.54 75.27 5.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.219 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.949 HD22 HD11 ' A' ' 10' ' ' ILE . 3.8 mt -54.53 -19.64 6.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -68.31 -8.33 38.77 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.7 mttp -134.14 19.04 3.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.347 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.507 HG13 HD23 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -62.6 163.6 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 73' ' ' PHE . 20.4 mt-30 -149.73 63.37 1.0 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 72' ' ' GLN . 25.5 m-85 -36.15 153.41 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 111.063 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.177 0 O-C-N 124.551 1.817 . . . . 0.0 110.992 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -40.6 -75.84 0.11 Allowed Glycine 0 CA--C 1.529 0.944 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.423 ' O ' HG23 ' A' ' 11' ' ' ILE . 4.1 pt-20 -136.32 130.22 32.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 0.737 . . . . 0.0 110.338 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.858 HD11 HD22 ' A' ' 68' ' ' LEU . 10.4 mm -69.11 109.14 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.612 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.5 pp -108.57 168.97 3.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.513 ' O ' HD12 ' A' ' 11' ' ' ILE . 45.0 mt-10 -74.0 126.57 30.78 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.56 -28.23 7.57 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.448 1.092 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.584 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 13.2 m -52.48 138.43 27.63 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.9 mtm105 -112.69 121.59 45.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.821 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.68 153.24 39.2 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 107.4 2.47 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.487 1.783 . . . . 0.0 111.037 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.826 HG21 HG11 ' A' ' 48' ' ' VAL . 51.6 t -91.19 116.48 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.9 tp -42.81 152.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -165.79 101.63 0.68 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.1 mtt85 -87.23 105.41 17.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.452 1.095 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -67.48 178.76 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -49.49 -52.45 29.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 110.247 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.483 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 49.6 m-20 -51.95 -23.13 4.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.452 1.095 . . . . 0.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 26.9 t30 81.32 48.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 28' ' ' GLU . 31.4 mt-10 -107.88 107.97 18.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.438 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 7.4 p-10 -53.72 93.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 26' ' ' GLU . 6.5 tt0 -92.43 163.11 13.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.424 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 96.4 m95 -137.17 65.04 49.77 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 108.022 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.424 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -75.01 148.54 35.38 Favored 'Trans proline' 0 C--N 1.358 1.07 0 O-C-N 124.493 1.786 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.545 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -59.64 129.89 44.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.768 ' HB1' ' HB ' ' A' ' 48' ' ' VAL . . . -136.04 136.2 40.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.077 . . . . 0.0 109.31 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -109.76 134.12 52.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.117 . . . . 0.0 110.234 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.5 mm -65.31 135.62 28.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 48.1 mt -115.33 -49.81 2.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.26 148.16 26.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.986 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.662 HG22 ' HD2' ' A' ' 46' ' ' PHE . 90.0 t -110.34 167.57 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.533 ' N ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -159.26 -178.96 7.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.206 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -161.22 124.92 3.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.085 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.704 HD12 HD22 ' A' ' 45' ' ' LEU . 12.3 mt -128.83 72.19 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.8 52.51 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.99 -24.23 14.05 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.135 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.616 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -79.33 86.33 5.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 110.293 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 2.8 mtmt -72.9 128.55 35.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.704 HD22 HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -110.21 142.28 41.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.662 ' HD2' HG22 ' A' ' 37' ' ' VAL . 13.4 m-85 -135.76 127.28 28.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -87.27 97.6 10.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.45 1.094 . . . . 0.0 111.038 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.826 HG11 HG21 ' A' ' 18' ' ' VAL . 31.4 m -97.44 164.25 2.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.433 ' O ' HD13 ' A' ' 51' ' ' ILE . 9.2 t60 -136.68 115.99 12.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.665 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -65.86 73.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 111.056 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.545 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.551 0 O-C-N 124.525 1.141 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.446 ' CE3' ' HB3' ' A' ' 45' ' ' LEU . 85.3 m95 -75.46 158.84 32.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 108.018 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.713 HG11 HG11 ' A' ' 18' ' ' VAL . 34.2 m -148.58 -171.65 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.6 p -123.53 167.8 13.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.423 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.686 ' HA ' HD12 ' A' ' 66' ' ' LEU . 11.9 t-80 -61.49 -35.68 78.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.182 . . . . 0.0 109.623 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -50.66 -39.22 50.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.24 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 35.1 mtt85 -78.53 -31.71 47.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.687 HD23 HG22 ' A' ' 18' ' ' VAL . 25.3 mt -68.43 111.42 4.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.373 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.404 ' C ' ' N ' ' A' ' 69' ' ' LYS . 19.2 t0 -96.25 73.41 2.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.858 HD22 HD11 ' A' ' 10' ' ' ILE . 2.9 mt -50.71 -22.18 1.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 67' ' ' ASP . 13.7 mttt -64.75 -10.88 30.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -131.34 14.19 5.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.544 HG13 HD23 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -54.78 165.72 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 73' ' ' PHE . 25.1 mt-30 -154.08 61.94 0.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.584 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 31.0 m-85 -37.2 152.77 0.11 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.398 1.061 . . . . 0.0 110.98 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.472 1.775 . . . . 0.0 111.012 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 98.16 -74.83 0.59 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -138.23 126.16 22.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 0.77 . . . . 0.0 110.32 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.897 HD11 HD22 ' A' ' 68' ' ' LEU . 13.2 mm -77.21 114.31 17.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 109.185 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.64 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.3 pp -116.31 169.14 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.579 ' N ' HD12 ' A' ' 11' ' ' ILE . 76.3 mt-10 -73.19 123.44 23.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.41 -27.64 6.86 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.412 1.07 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.532 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 19.6 m -54.28 137.32 41.68 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.7 mtm105 -113.24 121.69 45.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.832 ' N ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -149.11 154.53 39.44 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.27 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 113.92 3.9 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.478 1.778 . . . . 0.0 110.947 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.905 HG21 HG21 ' A' ' 48' ' ' VAL . 69.5 t -94.9 111.05 24.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.42 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 0.6 OUTLIER -57.26 133.71 55.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.556 ' HD3' ' CD1' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -157.29 72.44 0.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.336 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 20' ' ' ARG . 88.1 mtt180 -37.28 138.09 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 25' ' ' ASN . 7.0 p30 -99.42 179.79 4.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.434 ' C ' ' N ' ' A' ' 25' ' ' ASN . 2.2 tt0 -43.55 -62.8 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 110.31 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.49 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 92.1 m-20 -43.3 -27.82 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 4.5 t30 81.6 44.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -110.88 102.3 10.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 110.243 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.436 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 5.8 p-10 -40.39 104.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -96.82 172.8 7.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.429 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 98.0 m95 -149.2 64.7 7.56 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 107.995 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.429 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -74.99 146.04 32.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.445 1.761 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.662 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -61.24 131.04 49.13 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.574 1.171 . . . . 0.0 109.348 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.753 ' HB3' HG23 ' A' ' 18' ' ' VAL . . . -135.96 145.37 46.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -116.66 134.96 54.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.459 HD13 HG12 ' A' ' 48' ' ' VAL . 5.0 mm -67.67 138.79 22.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.432 HD12 ' CD2' ' A' ' 47' ' ' TYR . 47.5 mt -118.5 -46.41 2.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.72 147.97 23.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.598 HG22 ' HD2' ' A' ' 46' ' ' PHE . 64.1 t -110.5 168.46 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.963 ' HE3' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -162.35 -176.7 5.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.408 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.8 OUTLIER -161.33 122.39 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.963 HD11 ' HE3' ' A' ' 38' ' ' LYS . 83.2 mt -140.11 107.1 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.11 54.26 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.006 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 64.11 10.48 40.72 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.429 1.081 . . . . 0.0 111.017 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.737 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -107.98 101.22 10.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.52 0.776 . . . . 0.0 110.327 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.588 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -77.81 130.16 36.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.354 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.737 HD13 ' CD ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -107.39 153.12 23.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.643 ' O ' HG22 ' A' ' 61' ' ' VAL . 26.7 m-85 -147.04 116.33 6.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.952 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.432 ' CD2' HD12 ' A' ' 35' ' ' LEU . 9.9 t80 -79.44 94.18 5.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.976 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.905 HG21 HG21 ' A' ' 18' ' ' VAL . 18.7 m -96.62 158.32 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.412 1.07 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -127.93 118.21 23.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.626 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.556 ' CD1' ' HD3' ' A' ' 20' ' ' ARG . 46.0 m-85 -65.6 96.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.662 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.439 ' CE3' ' HB3' ' A' ' 45' ' ' LEU . 92.8 m95 -81.08 143.68 32.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 107.946 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.788 HG11 HG11 ' A' ' 18' ' ' VAL . 34.8 m -138.93 177.65 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 53.2 p -110.14 176.83 4.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.349 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.645 ' HA ' HD12 ' A' ' 66' ' ' LEU . 1.3 t60 -74.89 -19.01 60.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 109.644 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -61.91 -38.9 90.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 110.352 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -84.78 -22.41 29.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' ' 63' ' ' HIS . 76.5 mt -71.27 98.11 1.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 67' ' ' ASP . 19.4 t0 -85.55 75.59 10.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.897 HD22 HD11 ' A' ' 10' ' ' ILE . 4.1 mt -55.01 -18.98 5.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.237 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -68.64 -8.03 38.51 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -133.39 17.42 4.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.49 HG13 HD23 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -59.35 161.95 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 73' ' ' PHE . 7.0 mt-30 -149.1 61.77 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.532 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 28.2 m-85 -36.01 153.35 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.169 . . . . 0.0 111.031 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.194 0 O-C-N 124.5 1.79 . . . . 0.0 111.025 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -38.96 -76.84 0.07 OUTLIER Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -135.89 130.07 33.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 0.0 110.292 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.79 HD11 HD22 ' A' ' 68' ' ' LEU . 10.7 mm -70.59 108.39 2.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.746 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.4 pp -108.52 166.75 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.404 ' N ' HD12 ' A' ' 11' ' ' ILE . 59.9 mt-10 -70.83 124.51 24.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.43 -29.4 5.7 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.547 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 18.9 m -52.86 137.63 31.65 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -114.67 120.73 41.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.826 ' N ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -149.46 155.71 39.2 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.1 Cg_endo -75.02 118.18 5.17 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.541 1.811 . . . . 0.0 110.992 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 1.064 HG21 HG21 ' A' ' 48' ' ' VAL . 70.2 t -97.01 107.63 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 18' ' ' VAL . 9.8 tp -39.83 151.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.402 1.064 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.424 ' HA ' ' NH1' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -169.87 111.45 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.219 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.7 mtt85 -88.81 101.57 14.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.409 1.068 . . . . 0.0 110.312 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 25' ' ' ASN . 22.8 m-80 -59.79 179.56 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -50.95 -44.25 60.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.357 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 5.9 m-20 -60.14 -21.01 61.09 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.51 1.132 . . . . 0.0 109.315 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.462 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 1.5 t-20 79.53 40.34 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -103.22 104.53 14.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.44 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 5.0 p-10 -47.3 102.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -96.27 171.52 8.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.266 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.426 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.5 m95 -146.49 64.68 9.73 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 107.991 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.467 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -74.95 147.53 34.28 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.476 1.777 . . . . 0.0 111.03 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.454 ' HA ' HD22 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -65.86 133.77 51.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.08 . . . . 0.0 109.283 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.581 ' HB3' HG23 ' A' ' 18' ' ' VAL . . . -138.31 149.41 45.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.366 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -117.63 131.42 56.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 110.309 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.762 HD13 HG12 ' A' ' 48' ' ' VAL . 4.7 mm -65.83 136.55 26.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.363 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 39.2 mt -117.73 -43.34 2.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.88 147.88 18.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.037 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.622 HG22 ' HD2' ' A' ' 46' ' ' PHE . 66.1 t -110.34 168.93 3.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.607 1.192 . . . . 0.0 109.227 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.56 ' N ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -159.43 -178.23 6.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -162.82 124.05 2.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.464 1.102 . . . . 0.0 109.362 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.646 HD12 HD22 ' A' ' 45' ' ' LEU . 6.1 mt -127.5 77.14 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.32 43.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.974 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.38 -29.54 11.7 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.526 1.141 . . . . 0.0 110.958 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.575 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -72.59 85.58 1.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.595 0.821 . . . . 0.0 110.316 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -72.6 125.49 27.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.646 HD22 HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -108.69 141.34 40.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.622 ' HD2' HG22 ' A' ' 37' ' ' VAL . 14.7 m-85 -134.31 121.04 20.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -80.36 88.32 5.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.936 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.064 HG21 HG21 ' A' ' 18' ' ' VAL . 14.5 m -95.49 138.19 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.385 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -110.15 115.74 30.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.621 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -60.22 133.94 56.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.573 1.171 . . . . 0.0 111.002 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 90.3 m95 -74.17 141.52 45.52 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.521 1.138 . . . . 0.0 107.945 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.752 HG11 HG11 ' A' ' 18' ' ' VAL . 6.1 m -143.05 168.57 13.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.57 1.169 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.9 p -96.26 -159.05 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.413 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.637 ' HA ' HD12 ' A' ' 66' ' ' LEU . 1.5 t60 -100.14 -11.05 20.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.623 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -70.01 -34.13 72.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.302 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -85.1 -27.46 26.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 110.26 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' A' ' 63' ' ' HIS . 74.4 mt -65.23 112.38 3.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.402 ' C ' ' N ' ' A' ' 69' ' ' LYS . 8.8 t0 -100.03 73.35 1.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.348 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.79 HD22 HD11 ' A' ' 10' ' ' ILE . 3.9 mt -51.44 -21.37 2.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 67' ' ' ASP . 2.5 mttt -66.76 -9.64 38.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.592 1.182 . . . . 0.0 109.257 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -133.59 21.62 3.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.585 HG13 HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -65.19 167.14 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' PHE . 37.1 mt-30 -154.31 61.87 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.286 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.547 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 29.2 m-85 -36.5 152.58 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.103 0 O-C-N 124.505 1.792 . . . . 0.0 110.99 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -37.71 -77.95 0.05 OUTLIER Glycine 0 CA--C 1.531 1.077 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 11' ' ' ILE . 4.2 pt-20 -136.47 131.3 33.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 0.796 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.684 HD11 HD22 ' A' ' 68' ' ' LEU . 8.2 mm -67.21 103.66 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.25 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.499 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.9 pp -99.6 170.06 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.456 ' O ' HD12 ' A' ' 11' ' ' ILE . 47.3 mt-10 -75.52 123.14 24.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.583 1.177 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.06 -33.73 4.28 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.565 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 17.6 m -47.17 139.66 5.85 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.7 mtm105 -115.98 121.31 41.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.824 ' N ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -147.4 155.44 46.0 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.459 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.3 Cg_endo -74.98 107.85 2.58 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.452 1.764 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.686 HG11 HG21 ' A' ' 48' ' ' VAL . 56.6 t -92.08 117.19 34.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.507 HD11 ' OD1' ' A' ' 27' ' ' ASP . 14.8 tp -43.07 130.6 4.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.343 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.0 ttt-85 -145.74 96.63 2.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.25 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.9 mtm-85 -59.26 164.02 3.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.575 1.172 . . . . 0.0 110.248 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -120.97 179.9 4.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -61.92 -16.77 53.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.49 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 2.1 m-20 -99.48 -8.07 25.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 2.2 t-20 80.83 30.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 28' ' ' GLU . 8.4 mt-10 -85.83 100.89 12.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.507 ' OD1' HD11 ' A' ' 19' ' ' LEU . 4.1 m-20 -52.31 92.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' GLU . 13.4 tt0 -86.23 169.23 13.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.363 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.403 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 95.8 m95 -140.86 66.08 25.42 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 107.984 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.459 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.03 154.73 42.57 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.577 1.83 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.481 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.6 OUTLIER -67.48 127.87 34.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.335 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.604 ' HB3' HG23 ' A' ' 18' ' ' VAL . . . -132.17 142.94 49.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -113.03 140.65 47.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.348 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.497 ' O ' HD23 ' A' ' 35' ' ' LEU . 3.3 mm -73.04 143.68 13.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.497 HD23 ' O ' ' A' ' 34' ' ' ILE . 35.8 mt -124.46 -49.38 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.57 144.05 21.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.072 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.813 HG22 ' HD2' ' A' ' 46' ' ' PHE . 86.3 t -106.78 168.16 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.613 1.196 . . . . 0.0 109.294 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.547 ' N ' HG12 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -157.61 -178.31 7.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.243 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -161.03 124.28 3.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.692 HD12 HD22 ' A' ' 45' ' ' LEU . 15.9 mt -129.11 73.23 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 72.34 50.41 0.2 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.458 1.099 . . . . 0.0 110.041 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.84 -26.67 11.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.458 1.098 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.568 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -75.91 82.53 2.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 110.327 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 2.7 mtmt -70.73 123.61 22.32 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.692 HD22 HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -104.86 151.27 24.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.813 ' HD2' HG22 ' A' ' 37' ' ' VAL . 20.6 m-85 -143.75 123.67 13.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -81.67 93.97 6.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.173 . . . . 0.0 110.957 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.686 HG21 HG11 ' A' ' 18' ' ' VAL . 18.7 m -95.79 152.66 3.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -129.19 115.95 18.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.588 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -60.83 124.47 20.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.481 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -77.11 147.46 36.6 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.624 HG11 HG11 ' A' ' 18' ' ' VAL . 3.5 m -139.03 177.47 4.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.237 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 27.9 p -106.51 -159.72 0.71 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.513 1.133 . . . . 0.0 110.453 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.763 ' HA ' HD12 ' A' ' 66' ' ' LEU . 1.7 t60 -97.78 -8.78 27.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.612 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -77.25 -36.16 54.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 110.241 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.8 mtt85 -75.76 -28.53 58.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.763 HD12 ' HA ' ' A' ' 63' ' ' HIS . 20.3 mt -67.59 129.41 39.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.413 ' C ' ' N ' ' A' ' 69' ' ' LYS . 10.2 t0 -114.71 72.45 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.684 HD22 HD11 ' A' ' 10' ' ' ILE . 1.5 mt -50.72 -21.16 1.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.241 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.413 ' N ' ' C ' ' A' ' 67' ' ' ASP . 12.5 mttt -62.82 -11.75 20.03 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -133.95 12.33 3.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.459 HG23 ' N ' ' A' ' 72' ' ' GLN . 0.3 OUTLIER -47.94 168.54 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.459 ' N ' HG23 ' A' ' 71' ' ' ILE . 4.0 mt-30 -155.43 61.04 0.62 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.565 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 31.8 m-85 -38.37 155.21 0.12 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.176 0 O-C-N 124.536 1.809 . . . . 0.0 111.022 -179.983 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -37.87 -72.57 0.17 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -138.31 131.81 30.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 0.762 . . . . 0.0 110.312 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.708 HD11 HD22 ' A' ' 68' ' ' LEU . 11.9 mm -69.77 107.01 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.604 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.6 pp -106.4 168.54 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.406 1.066 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.459 ' N ' HD12 ' A' ' 11' ' ' ILE . 49.9 mt-10 -72.51 123.94 24.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.17 -29.26 6.03 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.523 1.139 . . . . 0.0 111.043 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.416 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 33.0 m -51.78 134.96 30.29 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.458 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 4.1 mtt180 -113.51 123.01 48.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.842 ' N ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -149.17 154.06 38.67 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.196 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 110.37 3.1 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.453 1.765 . . . . 0.0 110.973 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.671 HG11 HG11 ' A' ' 61' ' ' VAL . 72.0 t -90.25 144.14 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.601 HD11 ' OD2' ' A' ' 27' ' ' ASP . 14.2 tp -70.74 145.47 50.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -161.76 105.55 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.232 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 26.8 mtt180 -90.04 105.52 17.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.288 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -66.39 178.52 1.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -40.17 61.49 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.459 1.1 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 4.2 m-20 -62.61 -18.07 61.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.163 . . . . 0.0 109.348 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 6.8 t30 81.82 26.85 0.18 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.411 1.069 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 28' ' ' GLU . 29.6 mt-10 -92.28 100.34 12.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.266 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.601 ' OD2' HD11 ' A' ' 19' ' ' LEU . 1.1 m-20 -46.81 95.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 26' ' ' GLU . 36.1 tt0 -87.55 152.74 21.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.601 1.188 . . . . 0.0 110.257 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.427 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 62.6 m95 -134.5 64.8 65.59 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 108.024 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -74.95 135.1 18.73 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.47 1.774 . . . . 0.0 111.066 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.458 ' CD1' ' HD3' ' A' ' 15' ' ' ARG . 0.8 OUTLIER -49.81 125.31 11.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.464 ' HB1' ' HB ' ' A' ' 48' ' ' VAL . . . -128.91 158.11 39.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -127.03 135.37 50.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.486 ' O ' HD23 ' A' ' 35' ' ' LEU . 3.0 mm -67.94 142.24 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.352 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.486 HD23 ' O ' ' A' ' 34' ' ' ILE . 28.8 mt -124.39 -47.65 1.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.7 146.64 26.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.956 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.54 HG12 ' N ' ' A' ' 38' ' ' LYS . 59.6 t -111.66 167.78 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.957 ' HE3' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -161.24 179.52 8.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.405 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.8 OUTLIER -156.35 122.25 4.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.253 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.957 HD11 ' HE3' ' A' ' 38' ' ' LYS . 88.7 mt -143.71 116.53 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 55.17 47.59 21.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.19 6.71 48.27 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.454 1.096 . . . . 0.0 110.951 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.662 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -104.18 101.38 11.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 0.785 . . . . 0.0 110.324 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.582 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -76.4 127.12 32.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.662 HD13 ' CD ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -105.22 145.86 30.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.378 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.582 ' CZ ' ' HB3' ' A' ' 44' ' ' LYS . 27.8 m-85 -139.6 121.55 15.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -80.82 91.53 5.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.665 HG21 HG21 ' A' ' 18' ' ' VAL . 14.8 m -96.26 155.36 3.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.423 ' HB2' HD11 ' A' ' 35' ' ' LEU . 33.9 t60 -113.85 115.13 27.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 0.0 109.592 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -63.16 88.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 111.028 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.2 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.231 -179.963 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 64.4 m95 -83.05 148.15 27.71 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.671 HG11 HG11 ' A' ' 18' ' ' VAL . 29.2 m -136.94 -173.81 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.221 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 35.6 p -119.04 174.53 6.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 110.421 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.66 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -68.6 -43.7 75.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.606 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.97 -32.59 6.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.0 mtt85 -82.18 -28.24 32.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 63' ' ' HIS . 50.1 mt -70.62 123.79 22.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -106.45 74.03 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.708 HD22 HD11 ' A' ' 10' ' ' ILE . 3.2 mt -53.39 -20.52 4.63 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -67.31 -9.46 41.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -135.78 25.35 3.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.547 HG13 HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -68.36 159.9 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 73' ' ' PHE . 32.8 mt-30 -145.01 63.78 1.29 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.416 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 23.7 m-85 -37.44 154.01 0.11 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.538 1.809 . . . . 0.0 110.97 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -37.65 -78.94 0.04 OUTLIER Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.424 ' O ' HG23 ' A' ' 11' ' ' ILE . 4.2 pt-20 -137.22 132.07 33.33 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.544 0.79 . . . . 0.0 110.333 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.733 HD11 HD22 ' A' ' 68' ' ' LEU . 9.0 mm -68.82 108.64 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.604 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.5 pp -108.13 168.2 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.371 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.469 ' N ' HD12 ' A' ' 11' ' ' ILE . 77.5 mt-10 -72.36 123.77 23.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.97 -30.03 5.81 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.424 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 20.0 m -49.89 136.19 18.62 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.4 mtm105 -114.13 120.23 39.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.143 . . . . 0.0 110.368 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.826 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -147.35 154.27 45.31 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 106.5 2.29 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.541 1.811 . . . . 0.0 110.981 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.791 HG11 HG11 ' A' ' 61' ' ' VAL . 52.5 t -89.59 113.03 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.4 tp -41.43 136.99 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -143.56 105.39 4.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -89.29 95.93 10.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' A' ' 25' ' ' ASN . 17.1 m-80 -60.74 176.59 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.42 -46.75 47.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.339 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.475 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 16.9 m-20 -57.65 -20.8 35.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 2.5 t-20 80.51 38.17 0.09 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.522 1.139 . . . . 0.0 109.354 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 28' ' ' GLU . 31.9 mt-10 -96.23 104.14 16.08 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.444 1.09 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -53.02 91.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 0.0 109.364 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' GLU . 28.4 tt0 -92.09 168.66 11.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.418 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 99.2 m95 -136.92 64.87 50.94 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 107.949 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.1 Cg_endo -75.02 144.34 30.06 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.416 1.745 . . . . 0.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.51 ' HA ' HD22 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -60.39 133.92 56.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.274 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.681 ' HB1' ' HB ' ' A' ' 48' ' ' VAL . . . -136.51 144.22 44.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -117.06 130.16 56.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.262 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.449 ' O ' HD23 ' A' ' 35' ' ' LEU . 4.4 mm -64.28 138.2 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.449 HD23 ' O ' ' A' ' 34' ' ' ILE . 35.3 mt -119.75 -45.63 2.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.29 146.53 21.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.007 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.788 HG22 ' HD2' ' A' ' 46' ' ' PHE . 87.0 t -108.05 168.01 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.544 ' N ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -159.82 -175.85 5.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.17 . . . . 0.0 109.266 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -163.99 121.86 1.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.709 ' CD1' HD22 ' A' ' 45' ' ' LEU . 3.6 mt -124.65 77.06 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.4 49.88 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.416 1.073 . . . . 0.0 110.062 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.44 -22.02 32.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.599 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -79.93 87.3 5.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 0.786 . . . . 0.0 110.303 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.59 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -72.53 126.05 28.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.709 HD22 ' CD1' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -109.14 139.54 43.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.788 ' HD2' HG22 ' A' ' 37' ' ' VAL . 20.8 m-85 -132.87 115.65 15.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.943 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -75.45 99.16 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 111.053 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.681 ' HB ' ' HB1' ' A' ' 32' ' ' ALA . 10.0 m -99.97 165.7 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.439 ' O ' HD13 ' A' ' 51' ' ' ILE . 86.3 t60 -131.28 115.83 16.81 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.574 1.171 . . . . 0.0 109.636 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -69.57 73.96 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 111.054 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.496 HD11 HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.226 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 90.0 m95 -79.11 152.54 30.73 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.791 HG11 HG11 ' A' ' 18' ' ' VAL . 15.9 m -146.07 -177.77 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.077 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 73.4 p -117.87 178.16 4.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 110.361 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.629 ' HA ' HD12 ' A' ' 66' ' ' LEU . 1.6 t60 -74.56 -26.18 59.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.598 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -58.35 -36.12 72.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.417 1.073 . . . . 0.0 110.272 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.423 ' NH1' ' HA ' ' A' ' 61' ' ' VAL . 0.7 OUTLIER -85.78 -23.04 27.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.29 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 63' ' ' HIS . 73.5 mt -70.71 108.54 4.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.406 ' O ' ' OD1' ' A' ' 67' ' ' ASP . 19.9 t0 -97.43 76.96 2.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.733 HD22 HD11 ' A' ' 10' ' ' ILE . 2.8 mt -56.71 -18.1 11.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -68.45 -8.8 43.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -135.16 18.64 3.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.527 HG13 HD23 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -59.78 169.17 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.435 ' N ' HG23 ' A' ' 71' ' ' ILE . 9.0 mt-30 -155.36 61.95 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.424 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 30.5 m-85 -36.46 153.21 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.185 0 O-C-N 124.498 1.788 . . . . 0.0 111.03 179.95 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -37.78 -76.75 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.051 -0.819 . . . . 0.0 111.051 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.415 ' O ' HG23 ' A' ' 11' ' ' ILE . 3.4 pt-20 -137.01 130.63 31.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.776 HD11 HD22 ' A' ' 68' ' ' LEU . 11.9 mm -70.08 106.28 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.597 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.5 pp -103.78 167.47 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.376 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.491 ' O ' HD12 ' A' ' 11' ' ' ILE . 78.4 mt-10 -72.47 123.67 23.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.258 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.41 -28.66 5.94 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.507 1.13 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.588 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 21.0 m -52.65 137.47 30.79 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -114.37 120.72 41.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.266 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.828 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.59 155.83 41.86 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.1 Cg_endo -75.0 107.88 2.59 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.546 1.814 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.776 HG11 HG11 ' A' ' 61' ' ' VAL . 50.8 t -89.84 112.56 24.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.517 1.135 . . . . 0.0 109.343 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 18' ' ' VAL . 8.4 tp -39.92 150.02 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -164.93 107.27 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 72.8 mtt-85 -89.77 102.76 15.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -57.35 173.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -57.51 -17.27 12.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.328 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 13.6 m-20 -81.04 -16.64 52.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.237 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 14.6 t-20 81.17 30.88 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -100.7 100.46 11.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.432 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 4.9 p-10 -48.42 108.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -100.59 172.38 7.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 110.29 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.454 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 98.1 m95 -147.78 63.54 7.73 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.481 1.113 . . . . 0.0 108.03 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.467 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -74.99 154.26 42.39 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.513 1.796 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.577 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -69.78 127.07 31.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.544 ' HB1' ' HB ' ' A' ' 48' ' ' VAL . . . -132.85 147.22 52.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.378 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -114.66 133.94 55.46 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.567 1.167 . . . . 0.0 110.304 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.484 HD13 HG12 ' A' ' 48' ' ' VAL . 6.1 mm -66.42 136.22 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 55.4 mt -115.7 -52.78 2.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.403 1.065 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.33 143.11 22.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.022 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.731 HG22 ' HD2' ' A' ' 46' ' ' PHE . 93.4 t -104.52 167.47 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.537 ' N ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -157.94 179.96 8.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.407 1.067 . . . . 0.0 109.353 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -159.6 124.45 4.01 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.705 HD12 HD22 ' A' ' 45' ' ' LEU . 11.9 mt -128.93 74.57 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.08 52.94 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.039 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.03 -25.31 10.2 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.399 1.062 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.618 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -78.33 87.61 4.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.777 . . . . 0.0 110.323 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 2.3 mtmt -74.16 130.82 40.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.705 HD22 HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -112.36 145.59 39.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.731 ' HD2' HG22 ' A' ' 37' ' ' VAL . 10.1 m-85 -139.0 119.88 14.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 111.03 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -78.86 91.19 4.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.679 HG21 HG21 ' A' ' 18' ' ' VAL . 6.4 m -96.85 153.89 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.36 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -126.93 116.28 20.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 109.614 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -62.41 109.69 1.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.157 . . . . 0.0 110.96 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.577 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -82.32 134.89 35.28 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.776 HG11 HG11 ' A' ' 18' ' ' VAL . 25.3 m -129.26 -177.67 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.0 p -114.0 -178.03 3.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.43 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.625 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -76.73 -40.51 48.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.573 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -49.35 -28.78 5.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.356 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 27.9 mtt85 -86.49 -25.31 25.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.257 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' A' ' 63' ' ' HIS . 66.7 mt -71.99 117.22 13.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.406 ' C ' ' N ' ' A' ' 69' ' ' LYS . 8.6 t0 -102.07 72.12 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.776 HD22 HD11 ' A' ' 10' ' ' ILE . 3.9 mt -50.71 -21.89 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 67' ' ' ASP . 1.9 mttt -65.4 -10.22 31.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -135.19 25.87 3.53 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.564 1.165 . . . . 0.0 109.254 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.581 HG13 HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -68.78 165.42 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -152.72 62.93 0.8 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.14 . . . . 0.0 110.272 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.588 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 29.6 m-85 -37.88 152.43 0.14 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.547 1.814 . . . . 0.0 110.976 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -40.76 -78.14 0.06 OUTLIER Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.446 ' O ' HG23 ' A' ' 11' ' ' ILE . 4.5 pt-20 -136.82 131.39 33.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 0.807 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.72 HD11 HD22 ' A' ' 68' ' ' LEU . 11.2 mm -67.65 111.6 2.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.58 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.6 pp -111.85 168.52 4.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.627 1.205 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.476 ' O ' HD12 ' A' ' 11' ' ' ILE . 81.9 mt-10 -72.65 123.19 22.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.254 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.25 -32.55 4.86 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.605 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 16.5 m -49.01 138.63 11.42 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.413 ' CD ' HD11 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -114.35 123.14 48.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.234 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.837 ' N ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -149.02 151.98 35.62 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.586 1.179 . . . . 0.0 109.342 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.405 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.1 Cg_endo -74.98 111.14 3.26 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.487 1.783 . . . . 0.0 110.959 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.86 HG11 HG11 ' A' ' 61' ' ' VAL . 54.6 t -91.52 115.45 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.462 ' HB3' ' CG ' ' A' ' 65' ' ' ARG . 12.6 tp -41.95 144.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.47 ' HD2' ' CZ ' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -164.07 114.39 1.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.263 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.3 mtt85 -89.36 105.19 17.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -65.1 178.78 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.0 -57.91 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.256 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.478 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 0.9 OUTLIER -47.58 -25.17 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.478 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 23.5 t30 81.42 43.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 27' ' ' ASP . 34.8 mt-10 -108.35 104.97 14.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.245 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 8.1 p-10 -40.01 103.06 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -96.36 171.32 8.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.441 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.9 m95 -146.11 64.28 9.79 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 107.993 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.441 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -75.11 147.95 34.2 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.537 1.809 . . . . 0.0 110.998 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.564 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.6 OUTLIER -63.74 130.37 43.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.441 ' N ' HD13 ' A' ' 31' ' ' LEU . . . -135.11 145.87 48.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.603 1.189 . . . . 0.0 109.238 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 22.6 tt0 -114.02 137.96 51.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.248 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.499 ' O ' HD23 ' A' ' 35' ' ' LEU . 3.6 mm -69.97 145.0 13.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.36 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 34' ' ' ILE . 33.1 mt -125.6 -52.21 1.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.79 147.46 28.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 110.03 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.648 HG22 ' HD2' ' A' ' 46' ' ' PHE . 62.8 t -111.06 168.82 4.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.559 ' N ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -161.52 -178.84 6.87 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -161.21 124.3 3.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.395 1.06 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.677 HD12 HD22 ' A' ' 45' ' ' LEU . 11.7 mt -127.65 71.38 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.7 53.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.41 -26.35 9.24 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.565 1.166 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.669 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -77.58 85.51 3.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 110.332 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.587 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -72.77 128.48 35.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.677 HD22 HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -109.6 140.19 43.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.73 ' CD1' HD11 ' A' ' 66' ' ' LEU . 21.6 m-85 -133.76 119.71 19.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -80.06 91.52 5.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 111.053 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.803 HG21 HG21 ' A' ' 18' ' ' VAL . 5.2 m -95.47 160.8 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -133.93 115.5 14.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.635 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.47 ' CZ ' ' HD2' ' A' ' 20' ' ' ARG . 47.5 m-85 -62.05 118.95 7.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.094 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.564 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 45.3 m95 -81.37 144.96 31.08 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.86 HG11 HG11 ' A' ' 18' ' ' VAL . 16.1 m -133.39 -171.62 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.246 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.4 p -123.12 169.58 11.08 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.385 1.053 . . . . 0.0 110.377 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.509 ' HA ' HD12 ' A' ' 66' ' ' LEU . 1.2 t60 -60.32 -45.12 94.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.578 1.174 . . . . 0.0 109.641 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -46.7 -32.84 3.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 110.234 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.807 ' HB3' HG13 ' A' ' 18' ' ' VAL . 7.2 mtt180 -83.72 -28.94 27.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.239 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.73 HD11 ' CD1' ' A' ' 46' ' ' PHE . 46.2 mt -72.37 117.47 14.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.367 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -104.35 73.23 1.1 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.72 HD22 HD11 ' A' ' 10' ' ' ILE . 3.3 mt -52.01 -21.27 2.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -67.22 -9.57 41.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -133.79 18.02 3.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.357 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.511 HG13 HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -59.01 168.25 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.42 ' N ' HG23 ' A' ' 71' ' ' ILE . 15.4 mt-30 -154.88 61.64 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.321 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.605 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 30.4 m-85 -37.19 152.44 0.12 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.953 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.359 1.125 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -37.71 -80.7 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.472 ' O ' HG23 ' A' ' 11' ' ' ILE . 3.5 pt-20 -134.79 128.85 33.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 0.749 . . . . 0.0 110.28 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.909 HD11 HD22 ' A' ' 68' ' ' LEU . 6.6 mm -66.38 113.9 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.543 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.7 pp -115.75 170.24 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.495 ' O ' HD12 ' A' ' 11' ' ' ILE . 57.3 mt-10 -73.27 123.36 23.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.256 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.48 -27.48 6.9 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.529 1.143 . . . . 0.0 110.966 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.578 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 19.9 m -52.21 138.28 26.45 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.421 ' HB2' ' NH1' ' A' ' 15' ' ' ARG . 3.3 mtm105 -116.05 121.29 41.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.828 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -147.61 154.83 45.08 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.1 Cg_endo -75.01 107.82 2.57 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.436 1.756 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.747 HG11 HG11 ' A' ' 61' ' ' VAL . 49.6 t -90.85 111.47 23.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.406 1.067 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.6 tp -43.31 143.72 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.356 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -155.99 106.18 2.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.5 mtt180 -86.92 103.04 14.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.368 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -66.58 179.44 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -50.9 -47.62 60.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 14.1 m-20 -54.62 -26.28 31.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 4.3 t30 81.45 43.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -105.82 100.69 10.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 1.068 . . . . 0.0 110.328 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.448 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 8.4 p-10 -44.22 100.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -97.42 171.71 8.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.432 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.8 m95 -147.32 64.69 8.94 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 107.979 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.458 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 18.1 Cg_endo -75.04 153.44 41.58 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.467 1.772 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.519 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -68.83 128.4 36.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.63 ' HB1' ' HB ' ' A' ' 48' ' ' VAL . . . -133.13 146.78 51.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -114.39 137.47 51.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 110.241 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.8 mm -71.23 133.26 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.2 mt -113.02 -57.34 2.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -144.74 144.48 31.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.04 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.79 HG22 ' HD2' ' A' ' 46' ' ' PHE . 72.6 t -107.75 168.59 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.778 ' CD ' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -159.03 -179.27 7.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 0.0 109.308 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.713 ' O ' HD13 ' A' ' 40' ' ' ILE . 0.3 OUTLIER -157.26 118.14 3.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.778 HD11 ' CD ' ' A' ' 38' ' ' LYS . 26.1 mm -123.1 86.16 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.71 51.92 4.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 110.002 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.25 -23.83 16.57 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.555 1.159 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.692 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -78.71 91.95 4.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 0.789 . . . . 0.0 110.268 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 1.7 mtmt -76.55 125.8 29.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.692 HD13 ' CD ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -104.75 154.24 20.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.79 ' HD2' HG22 ' A' ' 37' ' ' VAL . 27.8 m-85 -147.1 120.63 9.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -81.17 93.41 6.46 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.63 ' HB ' ' HB1' ' A' ' 32' ' ' ALA . 21.8 m -95.62 153.47 3.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -127.61 115.91 19.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 109.591 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -59.76 121.37 11.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.957 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.519 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 63.3 m95 -74.56 153.49 39.02 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.747 HG11 HG11 ' A' ' 18' ' ' VAL . 19.2 m -143.14 -174.84 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.5 p -118.96 -179.76 3.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.427 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.793 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -73.46 -41.17 63.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.581 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -43.93 -43.68 6.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.278 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -75.67 -31.53 59.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.312 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.793 HD12 ' HA ' ' A' ' 63' ' ' HIS . 36.0 mt -65.71 112.99 3.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.371 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.402 ' C ' ' N ' ' A' ' 69' ' ' LYS . 10.1 t0 -98.63 71.94 1.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.909 HD22 HD11 ' A' ' 10' ' ' ILE . 3.6 mt -51.38 -21.36 2.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 67' ' ' ASP . 4.4 mttt -66.23 -9.93 37.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.5 mttp -131.58 13.67 4.95 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.575 HD11 HD13 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -54.72 159.91 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 73' ' ' PHE . 31.7 mt-30 -147.39 61.87 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.33 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.578 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 26.9 m-85 -36.73 153.77 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.531 1.806 . . . . 0.0 110.955 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -37.82 -79.76 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.463 ' O ' HG23 ' A' ' 11' ' ' ILE . 3.3 pt-20 -136.97 131.36 32.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 0.796 . . . . 0.0 110.364 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.724 HD11 HD22 ' A' ' 68' ' ' LEU . 6.9 mm -67.08 107.24 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.479 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.9 pp -105.95 171.34 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.466 ' O ' HD12 ' A' ' 11' ' ' ILE . 45.3 mt-10 -76.31 122.93 25.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.42 -25.68 7.64 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.9 m -53.64 142.59 22.57 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.417 ' HB3' HD11 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -118.96 120.5 37.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 110.343 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.823 ' N ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.06 154.44 42.96 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.5 Cg_endo -74.96 107.98 2.61 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.556 1.819 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.71 HG21 HG21 ' A' ' 48' ' ' VAL . 66.7 t -90.43 113.19 26.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.407 1.067 . . . . 0.0 109.267 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.5 tp -45.26 130.23 8.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.503 ' HG3' ' CZ ' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -147.08 111.38 5.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -81.97 109.65 16.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.325 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -72.32 -179.96 3.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.416 1.073 . . . . 0.0 109.248 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.4 ' C ' ' N ' ' A' ' 25' ' ' ASN . 4.5 tp60 -46.6 -58.12 4.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 110.304 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 82.9 m-20 -47.21 -25.22 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 4.0 t-20 82.03 38.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 28' ' ' GLU . 33.2 mt-10 -103.38 107.23 17.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -45.84 95.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 26' ' ' GLU . 12.0 tt0 -91.39 168.97 11.17 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.12 . . . . 0.0 110.307 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.418 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 98.4 m95 -137.85 65.29 45.28 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -75.06 148.73 35.46 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.451 1.764 . . . . 0.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.454 ' HA ' HD22 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -67.37 130.21 42.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 0.0 109.23 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.459 ' HA ' HD13 ' A' ' 51' ' ' ILE . . . -134.69 148.87 50.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -116.84 133.73 55.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.627 HD13 HG12 ' A' ' 48' ' ' VAL . 4.1 mm -65.5 145.26 14.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.582 HD23 ' O ' ' A' ' 34' ' ' ILE . 40.3 mt -124.62 -48.4 1.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.335 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.89 143.91 20.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 110.043 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.754 HG22 ' HD2' ' A' ' 46' ' ' PHE . 67.8 t -108.28 168.23 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.631 ' HE3' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -157.95 -176.35 5.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.442 ' O ' HD13 ' A' ' 40' ' ' ILE . 0.6 OUTLIER -159.41 120.67 3.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 109.312 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.631 HD11 ' HE3' ' A' ' 38' ' ' LYS . 13.0 mm -125.41 91.52 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.24 42.82 17.87 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 109.98 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.86 -24.52 30.69 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.129 . . . . 0.0 111.044 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.646 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -75.72 91.89 2.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 110.291 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.583 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -75.33 125.36 28.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.646 HD13 ' CD ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -105.05 154.44 20.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.353 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.754 ' HD2' HG22 ' A' ' 37' ' ' VAL . 21.6 m-85 -147.4 115.81 6.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.999 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -76.88 92.39 3.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.942 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.71 HG21 HG21 ' A' ' 18' ' ' VAL . 23.8 m -95.6 148.96 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.566 1.166 . . . . 0.0 109.357 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -125.54 116.16 21.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.581 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.503 ' CZ ' ' HG3' ' A' ' 20' ' ' ARG . 25.2 m-85 -58.2 142.13 48.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.598 1.186 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.459 HD13 ' HA ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -88.92 142.31 27.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 108.015 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.705 HG11 HG11 ' A' ' 18' ' ' VAL . 27.5 m -138.48 -176.66 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.35 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.4 p -112.12 177.8 4.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 0.0 110.426 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.838 ' HA ' HD12 ' A' ' 66' ' ' LEU . 1.2 t60 -79.49 1.71 24.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.616 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -82.58 -44.11 16.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.241 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.45 -23.62 53.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.838 HD12 ' HA ' ' A' ' 63' ' ' HIS . 38.6 mt -68.34 105.84 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.402 1.064 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.403 ' C ' ' N ' ' A' ' 69' ' ' LYS . 12.3 t0 -92.72 72.58 4.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.27 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.724 HD22 HD11 ' A' ' 10' ' ' ILE . 3.7 mt -51.27 -21.52 2.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 67' ' ' ASP . 8.3 mttt -66.64 -9.6 37.44 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.553 1.158 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.2 mttp -134.2 21.22 3.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.62 HG13 HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -64.24 162.88 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 109.37 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -148.71 65.25 1.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -38.39 154.22 0.14 Allowed Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.557 1.161 . . . . 0.0 110.951 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.097 0 O-C-N 124.47 1.774 . . . . 0.0 111.006 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.22 142.33 0.35 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 0.785 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.5 p -140.31 165.81 26.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.41 1.069 . . . . 0.0 110.041 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.8 131.67 16.28 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.7 p -151.86 150.43 30.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 0.0 109.995 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.75 114.33 25.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 42.08 45.14 4.95 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -38.08 -75.73 0.08 OUTLIER Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.449 ' O ' HG23 ' A' ' 11' ' ' ILE . 4.1 pt-20 -137.86 131.36 30.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 0.761 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.674 HD11 HD22 ' A' ' 68' ' ' LEU . 9.6 mm -69.36 108.24 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.661 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.3 pp -106.64 166.68 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.421 1.076 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.517 ' N ' HD12 ' A' ' 11' ' ' ILE . 49.4 mt-10 -70.83 124.48 24.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.42 -28.6 6.46 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.5 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 19.6 m -52.13 137.77 27.13 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.54 121.26 42.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.322 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.825 ' N ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.92 156.0 40.72 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.237 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.45 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.2 Cg_endo -74.97 108.35 2.7 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.452 1.764 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.816 HG11 HG11 ' A' ' 61' ' ' VAL . 53.9 t -91.57 112.02 24.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.392 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.9 tp -42.31 144.78 0.45 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -164.96 108.78 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -80.63 107.79 13.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -68.6 177.68 2.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.414 1.071 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.431 ' C ' ' N ' ' A' ' 25' ' ' ASN . 1.3 tt0 -44.72 -62.06 1.35 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 8.4 m-20 -42.6 -28.02 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 21.3 t30 82.9 48.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 27' ' ' ASP . 45.2 mt-10 -114.91 106.28 13.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.425 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 8.7 p-10 -39.92 101.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.61 1.194 . . . . 0.0 109.227 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -96.52 170.97 8.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.366 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.425 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.8 m95 -145.62 65.03 10.99 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.479 1.112 . . . . 0.0 108.008 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.45 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 18.1 Cg_endo -74.99 154.08 42.28 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.47 1.774 . . . . 0.0 110.946 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.455 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -71.34 128.16 34.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.587 ' HB1' ' HB ' ' A' ' 48' ' ' VAL . . . -133.01 148.68 52.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 109.369 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -115.44 134.65 54.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.578 HD13 HG12 ' A' ' 48' ' ' VAL . 5.4 mm -67.11 139.62 20.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.424 HD23 ' O ' ' A' ' 34' ' ' ILE . 47.2 mt -119.21 -50.19 2.36 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.31 150.22 30.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.795 HG22 ' HD2' ' A' ' 46' ' ' PHE . 94.5 t -113.19 167.91 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.586 ' HE3' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -160.13 -179.25 7.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.51 124.03 3.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.691 HD12 HD22 ' A' ' 45' ' ' LEU . 13.0 mt -127.3 70.28 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.89 53.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.13 -26.46 8.69 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.651 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -77.3 83.77 3.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.75 . . . . 0.0 110.278 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -70.78 129.19 38.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 109.312 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.691 HD22 HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -109.37 144.8 37.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.795 ' HD2' HG22 ' A' ' 37' ' ' VAL . 25.7 m-85 -138.47 124.78 20.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 58' ' ' ASP . 7.2 t80 -86.44 93.15 9.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.676 HG21 HG21 ' A' ' 18' ' ' VAL . 15.6 m -95.91 154.32 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 30.3 t60 -127.45 115.91 19.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.636 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -58.63 131.26 50.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 111.021 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.455 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -119.17 88.83 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.264 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 178.55 101.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 42.87 94.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.443 ' CG ' HD11 ' A' ' 57' ' ' LEU . 6.6 m-20 175.25 153.85 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.386 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.38 -58.97 2.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -175.91 128.94 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.334 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.443 HD11 ' CG ' ' A' ' 54' ' ' ASN . 0.9 OUTLIER -125.1 -76.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 47' ' ' TYR . 1.8 m-20 61.6 116.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -156.15 151.67 26.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 83.9 m95 -74.81 148.83 39.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 107.974 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.816 HG11 HG11 ' A' ' 18' ' ' VAL . 35.2 m -139.72 -171.72 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.3 p -122.57 174.11 7.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.392 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.564 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.6 OUTLIER -69.4 -41.01 76.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.649 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -47.42 -32.14 4.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 110.25 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -86.77 -26.28 24.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.58 1.175 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.583 HD11 ' CD1' ' A' ' 46' ' ' PHE . 71.6 mt -71.48 108.87 5.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -94.49 73.62 3.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.674 HD22 HD11 ' A' ' 10' ' ' ILE . 4.0 mt -51.82 -21.48 2.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -67.32 -9.14 38.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -134.54 24.24 3.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.616 HG13 HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -68.9 163.76 3.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 73' ' ' PHE . 35.1 mt-30 -150.6 63.69 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.5 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 26.6 m-85 -37.43 153.88 0.11 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.08 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 155.44 42.86 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.534 1.807 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -104.59 72.11 1.02 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.97 129.83 34.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 61.61 145.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.12 141.4 50.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.85 101.45 13.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.412 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 0.5 OUTLIER -162.67 146.8 9.14 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.428 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 80' ' ' THR . 18.5 Cg_endo -74.87 -165.47 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.501 1.79 . . . . 0.0 111.091 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.28 106.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.95 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -37.9 103.01 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.45 1.093 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 120.58 6.13 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.448 1.762 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.01 137.1 47.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.574 1.171 . . . . 0.0 110.005 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.4 p 61.84 114.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.504 1.127 . . . . 0.0 110.972 -179.983 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -171.42 159.65 5.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.735 . . . . 0.0 110.022 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.72 143.25 43.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.036 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.49 -127.24 2.19 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.454 1.096 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.69 159.48 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 0.757 . . . . 0.0 109.93 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -138.03 -58.92 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.998 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.88 46.64 0.06 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.128 . . . . 0.0 110.996 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -37.68 -79.12 0.04 OUTLIER Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.474 ' O ' HG23 ' A' ' 11' ' ' ILE . 4.5 pt-20 -136.03 129.69 32.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.798 HD11 HD22 ' A' ' 68' ' ' LEU . 7.2 mm -66.93 113.68 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.607 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.6 pp -115.47 171.94 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.532 ' N ' HD12 ' A' ' 11' ' ' ILE . 48.9 mt-10 -73.94 124.67 26.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.33 -30.6 5.95 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.433 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 24.3 m -50.26 135.63 21.15 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.406 ' CD ' HD11 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -113.76 122.86 48.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.107 . . . . 0.0 110.291 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.842 ' N ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -149.38 154.58 38.77 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 113.51 3.81 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.48 1.779 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.747 HG11 HG11 ' A' ' 61' ' ' VAL . 68.2 t -91.77 107.54 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.411 HD13 ' CZ2' ' A' ' 29' ' ' TRP . 7.8 tp -40.05 149.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -165.4 108.4 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.428 ' CG ' ' OD1' ' A' ' 27' ' ' ASP . 9.0 mtt180 -83.52 103.26 12.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.348 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -66.73 178.66 1.25 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.416 ' C ' ' N ' ' A' ' 25' ' ' ASN . 36.8 tt0 -46.52 -58.36 3.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.591 1.182 . . . . 0.0 110.258 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 1.2 m-20 -46.76 -25.48 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 3.1 t-20 82.65 38.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 28' ' ' GLU . 32.7 mt-10 -103.25 98.72 8.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.428 ' OD1' ' CG ' ' A' ' 21' ' ' ARG . 29.5 m-20 -40.22 98.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 109.376 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 26' ' ' GLU . 16.5 tt0 -91.31 169.71 10.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.411 ' CZ2' HD13 ' A' ' 19' ' ' LEU . 98.2 m95 -141.31 65.36 21.56 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.406 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.2 Cg_endo -75.06 126.19 9.77 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.464 1.77 . . . . 0.0 110.968 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.695 HD13 ' N ' ' A' ' 32' ' ' ALA . 1.0 OUTLIER -49.93 150.06 2.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.261 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.695 ' N ' HD13 ' A' ' 31' ' ' LEU . . . -153.4 174.55 14.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -138.53 135.86 35.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.5 mm -71.0 138.16 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.51 HD11 ' HB2' ' A' ' 49' ' ' HIS . 26.5 mt -117.01 -45.38 2.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.85 145.38 17.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.95 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.797 HG22 ' HD2' ' A' ' 46' ' ' PHE . 97.3 t -107.15 167.94 3.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.404 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.55 ' N ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -158.49 -177.62 6.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -161.9 124.07 2.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.681 HD12 HD22 ' A' ' 45' ' ' LEU . 8.0 mt -126.02 73.74 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.19 51.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.398 1.061 . . . . 0.0 110.015 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.7 -28.91 9.18 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.64 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -75.16 87.75 2.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.601 0.824 . . . . 0.0 110.333 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -74.3 127.55 33.28 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.424 1.077 . . . . 0.0 109.325 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.681 HD22 HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -107.26 148.29 29.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.797 ' HD2' HG22 ' A' ' 37' ' ' VAL . 27.2 m-85 -141.92 113.31 7.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.431 1.082 . . . . 0.0 111.042 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.488 ' CZ ' ' HB3' ' A' ' 58' ' ' ASP . 5.1 t80 -75.03 95.52 3.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.586 HG21 HG21 ' A' ' 18' ' ' VAL . 15.9 m -96.0 163.47 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.874 ' NE2' HD22 ' A' ' 57' ' ' LEU . 25.5 t60 -127.25 118.16 23.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.412 1.07 . . . . 0.0 109.618 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.544 ' O ' HD21 ' A' ' 57' ' ' LEU . 3.7 m-30 -66.6 112.13 3.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -94.15 67.51 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 53' ' ' PHE . 46.1 t0 -169.94 33.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.609 1.193 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.403 ' O ' ' O ' ' A' ' 52' ' ' ASP . 0.1 OUTLIER 50.08 101.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.547 1.154 . . . . 0.0 111.009 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -141.99 140.29 32.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.82 150.18 4.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 42.68 60.27 2.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.423 1.077 . . . . 0.0 110.351 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.874 HD22 ' NE2' ' A' ' 49' ' ' HIS . 2.0 mt -48.87 166.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.488 ' HB3' ' CZ ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER 62.83 119.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 109.241 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -162.17 147.68 12.95 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.507 1.129 . . . . 0.0 110.27 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -78.6 149.28 32.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 107.973 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.747 HG11 HG11 ' A' ' 18' ' ' VAL . 34.9 m -141.82 -178.37 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 49.6 p -114.21 176.47 5.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 110.403 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.608 ' HA ' HD12 ' A' ' 66' ' ' LEU . 1.5 t60 -77.1 -13.99 59.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.6 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -68.03 -31.31 70.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -88.99 -28.54 20.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 110.307 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 63' ' ' HIS . 75.7 mt -63.32 116.34 5.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -103.21 73.36 1.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.112 . . . . 0.0 109.242 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.798 HD22 HD11 ' A' ' 10' ' ' ILE . 3.9 mt -51.47 -21.5 2.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.5 mttm -66.0 -10.36 38.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -131.5 14.66 4.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.606 HG13 HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -56.08 159.16 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 73' ' ' PHE . 37.4 mt-30 -146.99 63.27 1.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.247 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.433 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 25.5 m-85 -37.21 152.75 0.11 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 111.004 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 148.98 35.63 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -68.54 119.85 13.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.87 160.86 8.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -112.34 98.44 7.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -163.17 71.23 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.607 1.192 . . . . 0.0 109.274 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.29 -65.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.77 HG23 ' HD2' ' A' ' 81' ' ' PRO . 2.7 m 63.37 147.18 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.429 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.77 ' HD2' HG23 ' A' ' 80' ' ' THR . 18.3 Cg_endo -75.04 75.08 3.82 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.463 1.77 . . . . 0.0 110.971 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.9 m -131.25 132.38 44.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -81.94 133.05 11.63 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 96.6 1.02 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.467 1.772 . . . . 0.0 111.071 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.3 p -134.2 98.33 4.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 110.004 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.7 m -61.92 -59.13 5.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.987 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 O-C-N 124.544 1.152 . . . . 0.0 110.945 179.96 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.58 132.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 0.799 . . . . 0.0 110.05 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 m -145.07 107.0 4.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 109.975 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.25 170.63 44.53 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -161.3 156.41 23.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 0.768 . . . . 0.0 110.011 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.78 120.04 40.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 110.019 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.34 52.37 13.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.557 1.161 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -37.99 -81.62 0.02 OUTLIER Glycine 0 CA--C 1.531 1.085 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 11' ' ' ILE . 2.4 pt-20 -138.62 134.34 33.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 0.794 . . . . 0.0 110.292 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.851 HD11 HD22 ' A' ' 68' ' ' LEU . 7.1 mm -68.16 108.64 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.57 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.8 pp -112.8 170.73 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.485 ' O ' HD12 ' A' ' 11' ' ' ILE . 49.2 mt-10 -71.74 122.99 21.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.5 -29.42 6.38 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 110.947 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.47 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 14.8 m -50.93 138.27 19.45 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -116.07 120.04 37.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.824 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -147.68 156.04 44.96 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.457 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.5 Cg_endo -74.96 107.02 2.39 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.427 1.751 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.799 HG11 HG11 ' A' ' 61' ' ' VAL . 50.1 t -90.02 114.45 27.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.443 1.09 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.437 ' HB3' ' CG ' ' A' ' 65' ' ' ARG . 5.3 tp -47.1 149.18 0.98 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.414 1.071 . . . . 0.0 109.201 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 -162.41 106.3 1.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.424 ' NE ' ' OD2' ' A' ' 27' ' ' ASP . 35.6 mtt180 -85.35 103.47 14.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 -66.23 179.16 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -52.04 -48.06 64.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.258 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.477 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 8.3 m-20 -57.57 -22.2 43.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 20.9 t30 80.93 42.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 28' ' ' GLU . 34.3 mt-10 -103.01 89.32 3.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.424 ' OD2' ' NE ' ' A' ' 21' ' ' ARG . 5.1 m-20 -42.64 97.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 26' ' ' GLU . 12.3 tt0 -94.42 169.18 10.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.266 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.427 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.4 m95 -139.14 65.01 35.01 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.457 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -74.99 154.5 42.59 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.521 1.8 . . . . 0.0 110.996 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.434 ' HA ' HD22 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -70.65 128.97 37.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.469 ' HB1' ' HB ' ' A' ' 48' ' ' VAL . . . -133.35 146.36 51.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -113.86 135.41 54.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.246 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.696 HD13 HG12 ' A' ' 48' ' ' VAL . 7.2 mm -68.32 144.05 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.531 HD23 ' O ' ' A' ' 34' ' ' ILE . 41.2 mt -124.66 -50.71 1.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.7 145.46 25.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.013 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.65 HG22 ' HD2' ' A' ' 46' ' ' PHE . 89.3 t -110.62 168.0 4.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.549 ' N ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -160.62 -175.87 5.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.402 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.9 OUTLIER -160.9 119.88 2.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.464 1.103 . . . . 0.0 109.383 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.679 HD12 HD22 ' A' ' 45' ' ' LEU . 11.7 mt -121.14 73.11 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 72.5 54.23 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.94 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.14 -28.26 6.85 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.536 1.147 . . . . 0.0 110.949 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.648 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -75.57 84.85 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 0.737 . . . . 0.0 110.321 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.581 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -69.81 126.63 30.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.679 HD22 HD12 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -104.88 152.6 22.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.65 ' HD2' HG22 ' A' ' 37' ' ' VAL . 21.3 m-85 -145.5 117.65 8.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -79.2 91.82 5.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.555 1.159 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.696 HG12 HD13 ' A' ' 34' ' ' ILE . 11.4 m -95.86 154.7 3.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -130.7 115.86 17.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.616 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.503 ' HB2' HD23 ' A' ' 57' ' ' LEU . 24.6 m-85 -58.82 130.09 45.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.406 HD13 ' HA ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -110.08 19.71 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.305 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.88 163.16 25.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -43.27 129.55 4.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 176.15 165.89 0.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.93 -71.92 0.57 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 110.267 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.3 ttt85 -65.79 140.27 58.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 110.265 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.503 HD23 ' HB2' ' A' ' 50' ' ' TYR . 3.0 mt -139.97 154.08 47.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 57.26 99.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -158.18 150.86 22.41 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.438 1.086 . . . . 0.0 110.262 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -77.02 139.14 39.97 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.799 HG11 HG11 ' A' ' 18' ' ' VAL . 32.6 m -128.75 -171.79 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.2 p -123.11 174.52 7.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.405 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.704 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -65.78 -44.53 85.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 109.605 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -45.87 -36.78 5.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.292 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.702 ' HB3' HG13 ' A' ' 18' ' ' VAL . 2.6 mtt180 -77.55 -31.47 53.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.092 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.704 HD12 ' HA ' ' A' ' 63' ' ' HIS . 29.4 mt -69.64 115.17 8.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.41 ' C ' ' N ' ' A' ' 69' ' ' LYS . 5.3 t0 -102.39 72.69 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.351 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.851 HD22 HD11 ' A' ' 10' ' ' ILE . 2.9 mt -50.82 -21.43 1.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.41 ' N ' ' C ' ' A' ' 67' ' ' ASP . 0.8 OUTLIER -65.35 -9.82 27.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.2 mttp -135.44 21.77 3.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.615 HD11 HD13 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -63.44 166.06 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 73' ' ' PHE . 14.1 mt-30 -153.3 62.28 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.074 . . . . 0.0 110.331 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.47 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 29.8 m-85 -36.72 153.43 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.936 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 158.31 42.53 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.552 1.817 . . . . 0.0 111.024 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -87.43 146.98 25.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.41 82.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -117.39 171.94 7.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -100.76 136.27 40.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.19 138.98 34.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 68.4 p -77.79 158.18 78.42 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.424 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 130.27 13.15 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.514 1.797 . . . . 0.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.03 146.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.393 1.058 . . . . 0.0 109.992 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -175.52 156.43 21.99 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.56 1.163 . . . . 0.0 110.998 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 163.15 35.97 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.52 1.8 . . . . 0.0 111.005 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.7 t -151.27 151.95 32.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.044 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.2 t -140.07 157.57 45.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.002 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.35 156.45 44.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 0.791 . . . . 0.0 109.988 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.79 129.7 1.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.008 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.55 -173.73 19.14 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.036 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -160.94 162.16 31.89 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 0.758 . . . . 0.0 109.969 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 m -144.51 131.37 20.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.955 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . 39.51 53.57 2.87 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.448 1.093 . . . . 0.0 110.998 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -37.15 -81.14 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.436 ' O ' HG23 ' A' ' 11' ' ' ILE . 3.8 pt-20 -136.33 131.67 34.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 0.747 . . . . 0.0 110.25 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.786 HD11 HD22 ' A' ' 68' ' ' LEU . 7.6 mm -68.13 111.68 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.36 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.643 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.5 pp -114.67 172.53 3.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.536 ' N ' HD12 ' A' ' 11' ' ' ILE . 61.1 mt-10 -74.5 123.49 24.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.266 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.66 -27.01 7.39 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.46 1.1 . . . . 0.0 110.923 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.539 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 22.0 m -52.89 137.52 32.07 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.411 ' HB2' ' NH1' ' A' ' 15' ' ' ARG . 3.5 mtm105 -115.73 120.36 39.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 110.325 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.828 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -147.37 155.67 46.06 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.256 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.2 Cg_endo -75.04 108.24 2.67 Favored 'Trans proline' 0 C--N 1.362 1.262 0 O-C-N 124.488 1.783 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.753 HG11 HG11 ' A' ' 61' ' ' VAL . 43.4 t -93.69 125.71 46.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 32.0 tp -42.54 145.28 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.4 ttt85 -160.02 100.49 1.4 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.477 1.111 . . . . 0.0 110.274 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -85.44 105.96 16.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -66.94 172.76 4.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -53.75 -25.29 18.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.341 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 4.8 m-20 -74.71 -21.58 59.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.341 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 25.9 t30 81.16 38.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 0.0 109.325 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 28' ' ' GLU . 33.3 mt-10 -106.37 91.88 3.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -41.14 97.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 26' ' ' GLU . 15.6 tt0 -92.76 169.15 10.7 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.462 1.101 . . . . 0.0 110.258 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.45 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.4 m95 -136.21 63.89 51.6 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 107.988 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.467 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -74.98 150.39 38.16 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.491 1.785 . . . . 0.0 110.962 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.484 ' HA ' HD22 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -64.02 133.25 52.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.439 ' N ' HD13 ' A' ' 31' ' ' LEU . . . -135.21 143.09 46.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.437 1.086 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -112.79 131.46 55.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.704 HD13 HG12 ' A' ' 48' ' ' VAL . 4.5 mm -67.47 140.66 18.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 37.4 mt -119.62 -53.16 2.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.0 145.18 26.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.957 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.765 HG22 ' HD2' ' A' ' 46' ' ' PHE . 91.1 t -109.59 167.97 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.958 ' HE2' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -160.25 -176.37 5.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.418 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -159.62 122.08 3.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.253 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.958 HD11 ' HE2' ' A' ' 38' ' ' LYS . 90.0 mt -141.84 102.99 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.55 47.58 2.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.963 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.27 6.55 47.9 Favored Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.459 1.099 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.69 ' HD2' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -101.73 84.03 2.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 110.325 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -62.66 127.54 31.77 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.407 1.067 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.69 HD13 ' HD2' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -105.21 154.15 20.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.765 ' HD2' HG22 ' A' ' 37' ' ' VAL . 27.0 m-85 -147.25 116.85 7.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.507 ' CZ ' ' HB2' ' A' ' 58' ' ' ASP . 6.6 t80 -80.46 90.04 5.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.406 1.066 . . . . 0.0 110.947 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.704 HG12 HD13 ' A' ' 34' ' ' ILE . 4.9 m -95.97 153.66 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.315 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -125.47 116.09 21.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.583 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -59.92 129.78 43.53 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -120.4 127.73 75.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -170.18 -59.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 109.346 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -171.91 52.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 111.021 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.519 ' HB3' HD12 ' A' ' 57' ' ' LEU . 6.9 m-20 -166.16 -172.62 2.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -154.67 161.91 41.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 67.57 28.37 7.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.34 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.519 HD12 ' HB3' ' A' ' 54' ' ' ASN . 12.7 mt -103.54 30.73 4.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.351 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.507 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 10.2 p30 -82.38 138.37 34.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -159.03 163.19 36.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 110.31 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 86.4 m95 -86.79 128.58 35.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 107.986 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.753 HG11 HG11 ' A' ' 18' ' ' VAL . 18.2 m -121.67 -171.63 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.632 1.208 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 76.3 p -119.95 179.73 4.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.417 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.61 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -75.35 -41.12 57.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.587 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -50.19 -26.22 4.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.451 ' HB3' HG13 ' A' ' 18' ' ' VAL . 16.9 mtt85 -89.39 -24.34 21.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' ' 63' ' ' HIS . 63.0 mt -73.61 112.25 9.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -97.64 74.14 2.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.232 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.786 HD22 HD11 ' A' ' 10' ' ' ILE . 3.4 mt -53.05 -20.27 3.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.127 . . . . 0.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -68.11 -8.36 37.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -135.99 22.66 3.29 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.631 HG13 HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -65.68 160.0 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 73' ' ' PHE . 4.1 mt-30 -146.66 62.69 1.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.539 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 26.5 m-85 -36.89 153.92 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.036 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 176.38 10.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.484 1.781 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -106.22 123.55 48.2 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.42 1.075 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -157.52 164.8 36.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.04 148.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.263 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -125.31 118.56 26.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.38 -75.38 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.328 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.797 HG22 ' HD2' ' A' ' 81' ' ' PRO . 1.3 m 63.28 147.53 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.797 ' HD2' HG22 ' A' ' 80' ' ' THR . 18.2 Cg_endo -74.95 136.96 21.2 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.45 1.763 . . . . 0.0 111.026 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 60.1 p -55.19 159.55 2.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.043 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -38.55 153.03 0.03 OUTLIER Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.491 1.119 . . . . 0.0 111.04 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 166.6 28.84 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.45 1.763 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.73 166.18 18.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.001 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.2 m 61.79 158.16 0.05 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.51 1.131 . . . . 0.0 109.971 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.069 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.82 108.1 0.57 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 0.807 . . . . 0.0 110.025 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.14 122.5 11.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.068 . . . . 0.0 109.976 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.67 -166.02 15.17 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.542 1.152 . . . . 0.0 111.053 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.92 -56.4 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.597 0.822 . . . . 0.0 109.983 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -58.0 149.1 23.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.961 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.48 56.38 3.49 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.518 1.136 . . . . 0.0 110.942 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -39.92 -83.05 0.01 OUTLIER Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.457 ' O ' HG23 ' A' ' 11' ' ' ILE . 3.9 pt-20 -138.14 132.42 31.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 110.322 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.837 HD11 HD22 ' A' ' 68' ' ' LEU . 6.6 mm -66.32 111.19 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.564 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.9 pp -114.19 170.11 4.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.427 ' O ' HD12 ' A' ' 11' ' ' ILE . 55.1 mt-10 -72.79 123.22 22.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.19 -30.84 5.68 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.9 m -51.49 141.12 16.45 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.408 ' CD ' HD11 ' A' ' 31' ' ' LEU . 5.5 mtt180 -117.53 122.11 42.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.365 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.841 ' N ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.75 154.42 40.5 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.2 Cg_endo -75.06 107.5 2.5 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.508 1.794 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.946 HG11 HG11 ' A' ' 61' ' ' VAL . 43.3 t -90.0 114.5 27.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.8 tp -41.94 138.23 1.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.243 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.447 ' CZ ' ' HA ' ' A' ' 22' ' ' ASN . 0.2 OUTLIER -152.53 112.64 4.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -90.71 96.61 10.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 110.316 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.447 ' HA ' ' CZ ' ' A' ' 20' ' ' ARG . 3.5 p30 -58.77 176.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.421 ' C ' ' N ' ' A' ' 25' ' ' ASN . 1.6 mt-30 -45.63 -58.29 3.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.235 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.504 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 1.7 m-20 -46.42 -25.55 0.68 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 2.0 t-20 82.11 43.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.354 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 28' ' ' GLU . 29.1 mt-10 -107.01 98.82 8.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.238 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.41 98.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 26' ' ' GLU . 14.2 tt0 -94.5 169.14 10.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.571 1.169 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.425 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 98.0 m95 -138.57 64.84 38.61 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.454 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 18.4 Cg_endo -74.96 152.37 40.89 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.531 1.806 . . . . 0.0 111.006 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.487 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.6 OUTLIER -69.63 129.28 39.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.513 ' HB1' ' HB ' ' A' ' 48' ' ' VAL . . . -134.8 145.25 48.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.354 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -111.9 137.01 50.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.361 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.523 HD13 HG12 ' A' ' 48' ' ' VAL . 4.7 mm -69.33 136.66 25.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 47.5 mt -116.41 -52.33 2.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.79 144.82 24.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.971 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.763 HG22 ' HD2' ' A' ' 46' ' ' PHE . 88.6 t -108.46 168.09 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.987 ' HE2' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -160.1 -177.56 6.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.148 . . . . 0.0 109.245 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.425 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.4 OUTLIER -158.85 121.04 3.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.987 HD11 ' HE2' ' A' ' 38' ' ' LYS . 80.1 mt -141.09 110.8 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.07 48.98 9.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.934 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 67.28 7.85 47.48 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.686 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -104.34 94.09 5.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 0.756 . . . . 0.0 110.283 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.588 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -70.56 127.35 32.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.4 1.063 . . . . 0.0 109.257 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.686 HD13 ' CD ' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -105.84 152.5 23.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.763 ' HD2' HG22 ' A' ' 37' ' ' VAL . 23.2 m-85 -145.75 119.6 9.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -81.41 91.1 6.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.973 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.639 HG21 HG21 ' A' ' 18' ' ' VAL . 11.9 m -96.0 154.18 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.444 ' ND1' ' OD2' ' A' ' 58' ' ' ASP . 74.0 t60 -129.16 115.89 18.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.574 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.701 ' HB2' HD23 ' A' ' 57' ' ' LEU . 24.3 m-85 -59.07 131.11 50.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.487 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -116.16 3.06 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -100.55 -67.99 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.17 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.449 ' O ' ' ND2' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -165.2 147.77 8.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.652 ' ND2' ' CD2' ' A' ' 50' ' ' TYR . 0.7 OUTLIER 174.18 -174.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.04 -44.23 2.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.0 tpt85 -75.03 -57.8 3.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.701 HD23 ' HB2' ' A' ' 50' ' ' TYR . 6.3 mt 64.23 141.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.584 1.178 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.444 ' OD2' ' ND1' ' A' ' 49' ' ' HIS . 2.6 m-20 56.63 97.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -159.34 166.64 30.74 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -87.64 140.98 28.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 107.973 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.946 HG11 HG11 ' A' ' 18' ' ' VAL . 28.5 m -130.66 -171.61 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.4 p -122.28 170.9 9.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -62.31 -46.33 89.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.539 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -48.17 -28.01 2.73 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 110.358 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.745 ' HB3' HG13 ' A' ' 18' ' ' VAL . 3.3 mtt180 -85.18 -28.42 25.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.161 . . . . 0.0 110.305 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.642 HD11 ' CD1' ' A' ' 46' ' ' PHE . 38.4 mt -74.34 115.56 13.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.407 ' C ' ' N ' ' A' ' 69' ' ' LYS . 12.1 t0 -100.89 73.14 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.837 HD22 HD11 ' A' ' 10' ' ' ILE . 3.3 mt -50.81 -21.54 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 67' ' ' ASP . 9.8 mttt -64.52 -10.94 29.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.224 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -134.42 21.84 3.69 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.629 HD11 HD13 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -62.22 156.73 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.535 ' O ' ' CG ' ' A' ' 72' ' ' GLN . 3.3 tt0 -143.31 71.01 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -45.89 151.77 0.83 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 111.029 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 165.7 30.78 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.498 1.788 . . . . 0.0 111.051 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.0 tttt -91.92 132.56 36.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.52 147.0 24.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -68.98 84.09 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -129.55 95.26 3.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 0.0 109.259 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.587 ' HE2' HG23 ' A' ' 80' ' ' THR . 0.0 OUTLIER -48.78 102.06 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.587 HG23 ' HE2' ' A' ' 79' ' ' LYS . 69.8 p 46.2 95.17 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.432 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -46.17 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.475 1.777 . . . . 0.0 111.051 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.54 122.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.979 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -103.03 106.57 2.91 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -40.37 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 26.4 p -150.96 102.24 2.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 110.028 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 84.3 p -63.48 98.92 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.434 1.084 . . . . 0.0 110.016 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.931 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 m -153.25 111.0 3.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.0 151.32 45.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.967 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.79 177.43 35.65 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.428 1.08 . . . . 0.0 110.981 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.38 114.52 15.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 0.784 . . . . 0.0 110.018 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.77 -63.12 1.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.9 46.83 0.12 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.128 . . . . 0.0 111.049 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -38.5 -78.21 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 11' ' ' ILE . 4.1 pt-20 -136.18 130.06 32.61 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.469 0.747 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.722 HD11 HD22 ' A' ' 68' ' ' LEU . 10.4 mm -67.63 108.09 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 109.377 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.567 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.7 pp -106.14 169.45 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.491 ' O ' HD12 ' A' ' 11' ' ' ILE . 48.4 mt-10 -73.72 124.79 26.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.33 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.48 -29.6 6.07 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.547 1.154 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.573 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 31.5 m -51.92 136.39 28.64 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.4 mtm105 -114.47 121.29 43.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 0.0 110.305 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.822 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.14 156.3 43.41 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.371 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.463 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.4 Cg_endo -74.91 108.34 2.69 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.526 1.803 . . . . 0.0 111.043 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.739 HG21 HG21 ' A' ' 48' ' ' VAL . 54.0 t -91.52 114.54 28.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.1 tp -46.84 129.33 11.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 109.358 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.559 ' HD2' ' CE2' ' A' ' 50' ' ' TYR . 16.5 ttt-85 -147.79 112.19 5.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -85.76 111.26 19.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 25' ' ' ASN . 10.2 p30 -73.23 -179.96 3.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 1.076 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -44.31 -60.5 1.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 110.273 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.506 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 36.0 m-20 -45.62 -27.42 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 24.5 t30 82.05 42.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 28' ' ' GLU . 41.2 mt-10 -105.32 107.06 17.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.432 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 7.6 p-10 -42.59 97.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' GLU . 4.6 tt0 -94.23 166.12 12.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.289 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.441 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.1 m95 -140.34 64.29 24.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.463 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 18.0 Cg_endo -75.11 156.2 42.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.522 1.801 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.524 HD12 HD11 ' A' ' 51' ' ' ILE . 0.4 OUTLIER -71.77 127.76 33.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.61 1.194 . . . . 0.0 109.346 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.636 ' HB1' ' HB ' ' A' ' 48' ' ' VAL . . . -132.82 143.17 49.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.244 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -110.98 133.52 53.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.441 1.088 . . . . 0.0 110.331 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.553 HD13 HG12 ' A' ' 48' ' ' VAL . 2.7 mm -67.72 139.31 21.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.422 HD12 ' CD2' ' A' ' 47' ' ' TYR . 34.9 mt -119.05 -46.43 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.9 144.92 20.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.385 1.053 . . . . 0.0 110.036 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.541 HG12 ' N ' ' A' ' 38' ' ' LYS . 98.7 t -106.75 167.75 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.353 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.604 ' HE2' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -159.69 -178.43 7.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -161.36 124.82 3.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.201 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.69 HD12 HD22 ' A' ' 45' ' ' LEU . 10.0 mt -128.7 77.35 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.68 49.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.989 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.27 -23.48 21.27 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.526 1.141 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.621 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -78.3 86.61 4.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 0.779 . . . . 0.0 110.31 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.589 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -71.2 129.83 39.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.69 HD22 HD12 ' A' ' 40' ' ' ILE . 0.1 OUTLIER -112.44 137.14 51.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.698 ' O ' HG22 ' A' ' 61' ' ' VAL . 8.2 m-85 -130.73 117.28 19.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.507 ' CZ ' ' HB2' ' A' ' 58' ' ' ASP . 7.4 t80 -76.1 90.25 3.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 111.029 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.739 HG21 HG21 ' A' ' 18' ' ' VAL . 21.9 m -95.81 152.89 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -124.92 115.89 21.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.614 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.674 ' CD2' HD22 ' A' ' 57' ' ' LEU . 62.7 m-85 -65.17 108.99 2.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.524 HD11 HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -91.27 104.22 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -170.4 45.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 62.33 98.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.447 ' HB3' HD12 ' A' ' 57' ' ' LEU . 0.5 OUTLIER 174.33 -165.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.54 -67.96 0.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.56 1.162 . . . . 0.0 110.275 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -75.66 86.76 2.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.167 . . . . 0.0 110.321 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.674 HD22 ' CD2' ' A' ' 50' ' ' TYR . 11.5 mt -141.02 -47.12 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.507 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -40.14 119.62 1.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -153.47 170.11 21.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.343 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -87.67 137.14 32.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 108.012 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.712 HG11 HG11 ' A' ' 18' ' ' VAL . 32.8 m -133.66 175.85 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.437 HG21 ' NH1' ' A' ' 43' ' ' ARG . 67.3 p -106.31 -172.9 2.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 110.446 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.698 ' HA ' HD12 ' A' ' 66' ' ' LEU . 1.2 t60 -86.1 -23.99 26.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.599 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -60.24 -32.43 71.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 110.292 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.83 -29.61 25.19 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.53 1.144 . . . . 0.0 110.263 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.698 HD12 ' HA ' ' A' ' 63' ' ' HIS . 63.1 mt -64.03 113.27 3.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.246 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.405 ' C ' ' N ' ' A' ' 69' ' ' LYS . 12.1 t0 -99.17 72.12 1.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.722 HD22 HD11 ' A' ' 10' ' ' ILE . 4.0 mt -50.71 -21.88 1.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 67' ' ' ASP . 4.0 mttm -65.39 -10.32 32.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -134.51 24.74 3.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.604 HG13 HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -67.62 160.63 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 73' ' ' PHE . 17.7 mt-30 -147.18 62.75 1.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.586 1.179 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.573 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 26.0 m-85 -37.17 154.56 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.073 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 149.97 37.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.525 1.803 . . . . 0.0 110.999 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -76.85 124.33 27.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.63 126.63 5.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.135 . . . . 0.0 109.363 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -65.76 98.55 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.21 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -142.42 78.68 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.6 mmtt -89.69 133.22 34.77 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.527 1.142 . . . . 0.0 109.245 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.601 HG22 ' HD2' ' A' ' 81' ' ' PRO . 6.0 m -104.9 144.68 29.22 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.536 1.147 . . . . 0.0 110.373 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.601 ' HD2' HG22 ' A' ' 80' ' ' THR . 18.2 Cg_endo -75.05 71.42 5.04 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.514 1.797 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.2 t 76.08 121.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.018 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -65.45 177.04 12.95 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.504 1.127 . . . . 0.0 110.924 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 118.19 5.18 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.501 1.79 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.29 92.59 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.964 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.9 m -39.52 -57.83 1.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 110.015 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -168.76 81.71 0.15 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.52 0.777 . . . . 0.0 110.004 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.6 m 63.9 131.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 109.987 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.12 -172.63 13.21 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.6 144.2 10.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 0.0 110.015 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.9 p -67.9 -70.32 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . -97.37 46.91 1.63 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -37.82 -77.77 0.06 OUTLIER Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.428 ' O ' HG23 ' A' ' 11' ' ' ILE . 3.7 pt-20 -136.27 130.43 33.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.844 HD11 HD22 ' A' ' 68' ' ' LEU . 10.3 mm -69.53 110.37 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.604 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.4 pp -111.26 168.26 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.526 ' O ' HD12 ' A' ' 11' ' ' ILE . 50.7 mt-10 -72.8 124.18 24.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.36 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.36 -26.54 7.32 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.8 m -54.01 138.75 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.5 mtm105 -114.14 122.66 47.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.837 ' N ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -149.16 153.72 38.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 107.83 2.58 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.525 1.802 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.899 HG21 HG21 ' A' ' 48' ' ' VAL . 55.7 t -89.58 110.53 21.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.102 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.421 HD11 ' OD2' ' A' ' 27' ' ' ASP . 7.2 tp -42.19 130.49 3.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.133 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -140.62 113.96 8.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.242 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 45.1 mtt180 -91.71 98.81 11.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.352 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -58.67 175.26 0.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -50.38 -47.32 56.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.469 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 7.6 m-20 -56.61 -19.77 17.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.469 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 4.2 t-20 80.71 41.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 28' ' ' GLU . 32.2 mt-10 -102.77 99.89 9.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 110.351 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.421 ' OD2' HD11 ' A' ' 19' ' ' LEU . 3.6 m-20 -47.41 95.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' GLU . 17.3 tt0 -95.54 168.35 10.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.418 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 98.8 m95 -135.67 65.27 60.44 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.2 Cg_endo -75.02 143.79 29.41 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.515 1.797 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.473 ' HA ' HD22 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -56.46 135.86 54.16 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.55 1.156 . . . . 0.0 109.252 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.706 ' HB3' HG23 ' A' ' 18' ' ' VAL . . . -138.1 149.56 46.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 7.2 tt0 -124.23 134.39 53.27 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.509 ' O ' HD23 ' A' ' 35' ' ' LEU . 7.0 mm -66.66 138.0 23.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 34' ' ' ILE . 40.6 mt -121.13 -46.44 2.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.599 1.187 . . . . 0.0 109.323 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.14 141.52 19.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.0 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.8 HG22 ' HD1' ' A' ' 46' ' ' PHE . 65.9 t -106.88 167.99 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.754 ' CD ' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -159.42 -178.37 7.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.452 1.095 . . . . 0.0 109.391 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.741 ' O ' HD13 ' A' ' 40' ' ' ILE . 0.3 OUTLIER -157.84 118.37 3.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.754 HD11 ' CD ' ' A' ' 38' ' ' LYS . 25.5 mm -124.71 92.03 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.262 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.84 46.61 11.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.966 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.85 -22.49 28.21 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.504 1.128 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.703 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -78.24 93.84 4.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.397 0.704 . . . . 0.0 110.361 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 1.7 mtmt -76.19 126.22 30.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.703 HD13 ' CD ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -104.94 153.74 21.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.803 ' CD2' HD11 ' A' ' 66' ' ' LEU . 33.8 m-85 -146.94 121.36 9.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.58 1.175 . . . . 0.0 110.991 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 58' ' ' ASP . 11.2 t80 -81.71 91.87 6.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 110.966 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.899 HG21 HG21 ' A' ' 18' ' ' VAL . 16.5 m -95.83 141.98 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.412 ' O ' HD13 ' A' ' 51' ' ' ILE . 5.7 t-80 -109.21 118.8 37.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.626 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.636 ' HB2' HD22 ' A' ' 57' ' ' LEU . 38.0 m-85 -68.34 76.18 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.412 HD13 ' O ' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -45.58 98.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.359 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.78 176.78 3.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.158 . . . . 0.0 109.228 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -57.93 -175.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.445 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 0.6 OUTLIER 73.86 151.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.24 27.5 8.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 110.318 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.92 80.72 1.96 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.636 HD22 ' HB2' ' A' ' 50' ' ' TYR . 5.6 mt -140.24 -157.9 0.81 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 47' ' ' TYR . 0.4 OUTLIER 63.54 109.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.227 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -158.71 160.19 36.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -80.73 150.15 29.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 107.946 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.705 HG11 HG11 ' A' ' 18' ' ' VAL . 4.5 m -144.52 -174.69 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.572 1.17 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.43 HG21 ' NH1' ' A' ' 43' ' ' ARG . 16.1 p -123.7 167.26 14.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.581 1.175 . . . . 0.0 110.406 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.575 ' HA ' HD12 ' A' ' 66' ' ' LEU . 1.7 t60 -61.29 -16.54 46.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.599 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -64.14 -40.62 96.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.538 1.149 . . . . 0.0 110.346 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.96 -25.9 27.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.257 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.803 HD11 ' CD2' ' A' ' 46' ' ' PHE . 56.2 mt -68.32 110.9 4.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.41 ' O ' ' OD1' ' A' ' 67' ' ' ASP . 22.5 t0 -98.84 76.0 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.844 HD22 HD11 ' A' ' 10' ' ' ILE . 4.2 mt -54.94 -19.49 6.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.419 1.074 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -69.11 -8.17 42.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -134.44 18.03 3.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 109.256 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.479 HG13 HD23 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -60.23 163.42 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 109.267 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 73' ' ' PHE . 19.6 mt-30 -149.86 63.16 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.263 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.426 ' C ' ' O ' ' A' ' 72' ' ' GLN . 25.7 m-85 -35.89 153.07 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 111.064 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.85 162.94 36.55 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.527 1.804 . . . . 0.0 111.04 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -93.49 88.67 6.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -150.19 124.12 9.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.66 148.49 27.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.3 -61.56 1.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.412 1.07 . . . . 0.0 109.274 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.2 tttm -118.55 127.98 54.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.5 p -40.73 100.53 0.22 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.432 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.9 58.63 4.88 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.446 1.761 . . . . 0.0 111.079 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.02 -71.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.031 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -177.01 157.53 22.6 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 166.5 29.08 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.493 1.786 . . . . 0.0 111.074 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.82 91.44 2.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.522 1.139 . . . . 0.0 109.984 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.4 p -172.13 148.41 2.19 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.476 1.11 . . . . 0.0 110.061 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.509 1.13 . . . . 0.0 110.96 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.69 105.23 3.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.68 156.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.998 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.02 -75.42 0.26 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.541 1.151 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 m -41.85 161.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 109.95 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.4 p -113.29 161.87 16.71 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.392 1.057 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 39.56 43.51 2.21 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -37.76 -77.64 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.48 ' O ' HG23 ' A' ' 11' ' ' ILE . 4.5 pt-20 -136.58 130.41 32.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 0.758 . . . . 0.0 110.354 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.849 HD11 HD22 ' A' ' 68' ' ' LEU . 7.5 mm -67.37 109.39 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.626 HD12 ' N ' ' A' ' 12' ' ' GLU . 1.7 pp -108.73 176.88 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.626 ' N ' HD12 ' A' ' 11' ' ' ILE . 64.4 mt-10 -80.16 123.18 27.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 110.333 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 117.63 -28.09 7.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.149 . . . . 0.0 111.033 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.56 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 6.1 m -51.72 140.3 19.3 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.485 ' CD ' HD11 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -115.34 120.22 38.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.822 ' N ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -147.27 152.48 42.88 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 109.265 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.443 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.1 Cg_endo -75.04 111.63 3.37 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.583 1.833 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.941 HG11 HG11 ' A' ' 61' ' ' VAL . 55.6 t -89.53 112.13 23.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.528 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 2.4 tp -43.78 148.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.87 100.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.417 1.073 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.34 143.9 46.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.576 1.172 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -78.76 -179.66 6.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.28 -17.57 8.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.092 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 3.3 m-20 -86.99 -8.84 56.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.248 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 9.6 t30 81.86 26.16 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 28' ' ' GLU . 23.7 mt-10 -92.13 87.63 6.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.469 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 19.2 m-20 -41.88 100.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 26' ' ' GLU . 11.0 tt0 -88.47 168.67 12.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.196 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.528 ' CH2' ' HB2' ' A' ' 19' ' ' LEU . 97.8 m95 -137.58 64.97 46.48 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.443 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.0 152.71 41.1 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.585 1.834 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.485 HD11 ' CD ' ' A' ' 15' ' ' ARG . 0.4 OUTLIER -66.74 132.98 49.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.539 ' HB3' HG23 ' A' ' 18' ' ' VAL . . . -138.14 140.96 40.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 12.2 tt0 -111.76 134.56 53.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.731 ' O ' HD23 ' A' ' 35' ' ' LEU . 2.2 mm -68.41 148.74 11.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.731 HD23 ' O ' ' A' ' 34' ' ' ILE . 37.4 mt -126.93 -47.31 1.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.243 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.22 143.87 16.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.013 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.588 HG22 ' HD2' ' A' ' 46' ' ' PHE . 60.2 t -107.06 168.4 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.941 ' HE3' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -160.16 179.77 8.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.415 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.8 OUTLIER -155.19 122.26 5.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.941 HD11 ' HE3' ' A' ' 38' ' ' LYS . 91.4 mt -143.77 118.26 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 109.365 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 54.44 42.55 31.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.999 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.16 1.93 57.66 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.468 1.105 . . . . 0.0 110.957 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.649 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -98.57 97.62 8.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 110.351 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -72.59 127.22 31.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.649 HD13 ' CD ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -104.61 149.19 25.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.368 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.588 ' HD2' HG22 ' A' ' 37' ' ' VAL . 27.3 m-85 -142.86 113.9 7.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 111.049 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.495 ' CZ ' ' HB3' ' A' ' 58' ' ' ASP . 4.7 t80 -77.0 91.22 3.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.098 . . . . 0.0 110.987 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.797 HG21 HG21 ' A' ' 18' ' ' VAL . 11.4 m -95.64 149.51 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.452 ' HB2' HD11 ' A' ' 35' ' ' LEU . 21.6 t60 -116.29 115.46 25.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.658 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -65.38 118.18 9.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.478 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -107.68 129.7 61.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -173.77 -71.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.59 1.181 . . . . 0.0 109.351 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -148.89 69.18 1.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 173.45 -165.53 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.582 1.176 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.75 32.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.304 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.94 52.48 0.63 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.7 mt -124.27 55.46 1.3 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 109.386 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 47' ' ' TYR . 2.6 m-20 -90.61 123.89 34.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -156.94 140.54 15.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 110.295 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.444 ' CD1' ' CD1' ' A' ' 47' ' ' TYR . 35.7 m95 -76.89 144.16 39.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 107.988 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.941 HG11 HG11 ' A' ' 18' ' ' VAL . 23.5 m -130.69 -172.04 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.2 p -114.78 164.27 14.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.415 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.735 ' HA ' HD12 ' A' ' 66' ' ' LEU . 1.4 t60 -68.14 -10.03 51.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.602 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -74.95 -38.98 61.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.266 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -78.85 -31.7 45.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.735 HD12 ' HA ' ' A' ' 63' ' ' HIS . 31.3 mt -61.92 102.17 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 67' ' ' ASP . 13.2 t0 -89.3 78.41 7.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.849 HD22 HD11 ' A' ' 10' ' ' ILE . 1.7 mt -56.87 -18.15 12.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -67.55 -9.43 42.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.352 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.1 mttp -134.31 17.97 3.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.626 HG13 HD23 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -59.07 161.6 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.583 1.177 . . . . 0.0 109.26 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 73' ' ' PHE . 18.7 mt-30 -148.62 62.95 1.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.56 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 26.5 m-85 -36.58 153.35 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 148.99 36.35 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.521 1.8 . . . . 0.0 111.073 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.79 134.09 56.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.359 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -163.22 167.27 22.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.75 98.96 11.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -162.1 -62.23 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -93.24 87.31 5.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.751 HG21 ' HB2' ' A' ' 85' ' ' SER . 7.3 t -56.96 145.85 62.36 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 80' ' ' THR . 18.3 Cg_endo -74.98 87.38 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.473 1.775 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.59 135.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.029 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 132.28 145.28 5.46 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.129 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 73.86 4.18 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.504 1.791 . . . . 0.0 111.023 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.751 ' HB2' HG21 ' A' ' 80' ' ' THR . 0.4 OUTLIER -113.54 154.52 26.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.2 t -149.51 97.45 2.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.6 p -93.04 163.1 13.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.418 0.716 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.16 146.77 5.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.001 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.41 -179.45 40.96 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.73 167.57 7.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.76 . . . . 0.0 110.054 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.7 t -145.12 -70.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.999 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.04 48.42 0.46 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 110.963 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -40.21 -79.83 0.04 OUTLIER Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.444 ' O ' HG23 ' A' ' 11' ' ' ILE . 3.4 pt-20 -137.25 131.48 32.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 0.72 . . . . 0.0 110.27 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.547 HD11 HD22 ' A' ' 68' ' ' LEU . 8.1 mm -67.85 108.57 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.515 HD12 ' O ' ' A' ' 12' ' ' GLU . 1.9 pp -108.72 172.03 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.515 ' O ' HD12 ' A' ' 11' ' ' ILE . 63.6 mt-10 -74.41 123.29 24.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.48 -34.28 4.32 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.517 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 17.8 m -47.87 139.82 7.3 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -116.45 120.86 40.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.347 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.829 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -146.96 154.41 46.88 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 110.51 3.13 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.52 1.8 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.778 HG11 HG11 ' A' ' 61' ' ' VAL . 52.5 t -91.41 113.6 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.6 tp -43.0 143.08 0.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.2 ttt85 -156.32 114.36 3.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -94.38 109.71 21.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.285 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -68.14 178.2 1.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -52.98 -45.72 67.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.142 . . . . 0.0 110.336 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 33.4 m-20 -59.87 -18.09 41.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 9.3 m-20 80.06 53.58 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -112.52 112.81 24.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 15.1 p-10 -59.28 93.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -89.83 166.81 13.3 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.42 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.0 m95 -140.91 65.23 23.03 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.2 Cg_endo -75.06 150.94 38.62 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.488 1.783 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.469 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -68.66 128.74 37.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.566 ' HB1' ' HB ' ' A' ' 48' ' ' VAL . . . -133.54 146.71 51.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -113.87 135.18 54.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 110.312 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.454 ' O ' HD23 ' A' ' 35' ' ' LEU . 4.8 mm -66.56 144.47 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 34' ' ' ILE . 57.4 mt -123.96 -53.73 1.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.81 143.26 24.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.989 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.813 HG22 ' HD2' ' A' ' 46' ' ' PHE . 97.7 t -106.17 168.05 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.545 ' N ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -158.38 -178.51 7.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.267 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -160.83 122.41 3.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.692 HD12 HD22 ' A' ' 45' ' ' LEU . 8.4 mt -126.55 74.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.238 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.45 52.18 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.975 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.94 -26.02 10.67 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.613 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -77.0 85.97 3.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 0.774 . . . . 0.0 110.342 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 2.6 mtmt -72.98 126.31 29.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.692 HD22 HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -107.26 150.22 26.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.813 ' HD2' HG22 ' A' ' 37' ' ' VAL . 16.9 m-85 -143.15 126.7 16.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.133 . . . . 0.0 111.033 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -87.61 92.62 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.412 1.07 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.736 HG21 HG21 ' A' ' 18' ' ' VAL . 26.8 m -95.72 154.76 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -129.09 115.74 18.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.628 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.531 ' HD2' HD13 ' A' ' 57' ' ' LEU . 26.5 m-85 -59.35 125.64 24.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 111.073 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.469 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -108.32 31.89 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -92.92 22.29 5.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 53.1 97.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 111.049 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.451 ' O ' ' CD ' ' A' ' 55' ' ' ARG . 31.6 m120 -154.07 -59.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.426 1.079 . . . . 0.0 109.361 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.451 ' CD ' ' O ' ' A' ' 54' ' ' ASN . 0.7 OUTLIER 172.91 160.72 0.12 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.363 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.7 ttm-85 -62.39 79.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.531 HD13 ' HD2' ' A' ' 50' ' ' TYR . 0.9 OUTLIER -83.85 -76.69 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 57.54 108.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.169 . . . . 0.0 109.33 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -147.29 155.5 42.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.263 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -74.15 155.74 38.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 107.989 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.778 HG11 HG11 ' A' ' 18' ' ' VAL . 21.4 m -149.33 176.93 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.5 p -108.71 171.27 7.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 110.378 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.669 ' HA ' HD12 ' A' ' 66' ' ' LEU . 1.7 t60 -69.9 -23.41 63.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 109.638 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -62.64 -35.04 78.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 0.0 110.33 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.429 ' HB3' HG13 ' A' ' 18' ' ' VAL . 0.5 OUTLIER -79.97 -32.32 39.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.716 ' HB3' HD22 ' A' ' 16' ' ' LEU . 27.8 mt -66.0 121.53 15.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -107.86 77.58 1.13 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.437 1.086 . . . . 0.0 109.273 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.783 HD23 ' N ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -55.04 -18.24 4.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.392 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -63.82 -11.56 28.24 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.01 10.51 3.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.503 HD11 ' CD1' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -45.56 167.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.434 ' N ' HG23 ' A' ' 71' ' ' ILE . 27.9 mt-30 -154.72 63.96 0.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 110.288 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.517 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 31.7 m-85 -41.51 153.46 0.26 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 148.85 35.68 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.479 1.779 . . . . 0.0 110.951 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.9 tttm -93.57 84.8 4.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.25 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.68 149.16 26.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -93.22 109.04 20.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -135.65 154.9 51.15 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -78.16 155.77 30.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.4 t -101.51 146.29 31.96 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.335 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 120.19 5.97 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.435 1.755 . . . . 0.0 111.028 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.9 p -134.82 141.4 46.39 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.142 . . . . 0.0 110.075 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -144.43 166.29 27.29 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 110.953 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 157.74 42.5 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.476 1.777 . . . . 0.0 110.974 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.7 t -126.82 146.06 50.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.986 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 26.2 p -97.32 157.58 15.9 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.511 1.132 . . . . 0.0 109.939 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.469 1.106 . . . . 0.0 110.921 179.958 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.35 94.03 4.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.778 . . . . 0.0 110.012 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -127.1 -51.07 1.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.74 -107.8 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.533 1.146 . . . . 0.0 111.018 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 76.94 148.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 110.002 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -146.85 106.34 3.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.061 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.16 -96.35 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 6' ' ' SER . . . 91.47 -71.56 1.82 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -138.2 125.13 21.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 110.345 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.949 HD11 HD22 ' A' ' 68' ' ' LEU . 13.3 mm -78.11 115.56 20.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.413 1.07 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.592 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.4 pp -115.9 168.36 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.561 ' O ' HD12 ' A' ' 11' ' ' ILE . 63.5 mt-10 -72.32 123.92 24.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 117.97 -23.59 9.27 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.2 m -56.42 138.47 51.23 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.2 mtm105 -114.44 121.13 42.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.322 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.83 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.61 155.47 41.75 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 107.37 2.47 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.527 1.804 . . . . 0.0 111.034 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.745 HG11 HG11 ' A' ' 61' ' ' VAL . 76.4 t -89.77 110.16 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 tp -42.88 139.55 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -154.43 114.69 3.88 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.425 1.078 . . . . 0.0 110.258 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 27' ' ' ASP . 24.5 mtt-85 -92.43 103.22 15.67 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.466 1.104 . . . . 0.0 110.266 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -65.27 178.68 0.86 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -50.67 -46.52 58.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.252 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 70.2 m-20 -54.53 -23.4 16.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.479 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 4.4 t30 80.5 40.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 28' ' ' GLU . 38.0 mt-10 -106.03 108.31 19.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.326 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.446 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 7.8 p-10 -48.52 95.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 26' ' ' GLU . 6.9 tt0 -91.81 163.64 13.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.427 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 96.1 m95 -137.32 64.91 48.16 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 108.032 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -74.95 140.68 25.89 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.565 1.824 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.47 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -57.42 127.78 33.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.721 ' HB3' HG23 ' A' ' 18' ' ' VAL . . . -131.64 145.39 51.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.095 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -114.37 134.51 54.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.481 HD13 HG12 ' A' ' 48' ' ' VAL . 6.3 mm -67.76 135.53 28.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.472 HD12 ' CD2' ' A' ' 47' ' ' TYR . 34.9 mt -115.6 -48.95 2.75 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.596 1.185 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.82 150.85 30.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 110.003 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.774 HG22 ' HD2' ' A' ' 46' ' ' PHE . 89.3 t -114.78 167.95 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.543 ' N ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -159.19 -176.81 6.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -163.48 124.36 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.681 HD12 HD22 ' A' ' 45' ' ' LEU . 6.9 mt -127.43 74.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 72.34 46.89 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.013 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.49 -26.36 20.18 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.533 1.145 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.617 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -76.32 85.6 3.1 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.521 0.777 . . . . 0.0 110.301 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.584 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -71.81 128.05 34.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.681 HD22 HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -109.87 139.1 45.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.774 ' HD2' HG22 ' A' ' 37' ' ' VAL . 21.7 m-85 -132.83 124.06 27.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 0.0 110.975 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 58' ' ' ASP . 11.4 t80 -84.34 95.82 8.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.704 HG21 HG21 ' A' ' 18' ' ' VAL . 32.4 m -97.85 154.26 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -129.04 116.44 19.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 109.547 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.669 ' HB2' HD13 ' A' ' 57' ' ' LEU . 28.0 m-85 -60.96 113.73 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 111.043 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.47 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -93.29 104.69 15.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -157.77 -69.2 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.153 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.6 t80 178.81 100.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.155 . . . . 0.0 111.06 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 167.23 -168.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.08 -68.69 0.76 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 110.253 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -72.85 92.95 1.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.669 HD13 ' HB2' ' A' ' 50' ' ' TYR . 15.9 mt -146.11 -47.32 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 14.2 p30 -39.88 118.95 0.93 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.245 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -149.25 169.55 20.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -86.63 144.71 27.03 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.745 HG11 HG11 ' A' ' 18' ' ' VAL . 32.9 m -138.82 -174.48 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 51.6 p -119.74 176.72 5.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.435 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.645 ' HA ' HD12 ' A' ' 66' ' ' LEU . 1.7 t60 -73.35 -15.55 61.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.59 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -65.69 -42.46 91.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.259 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.97 -20.72 37.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' ' 63' ' ' HIS . 77.1 mt -72.8 102.39 3.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.412 ' O ' ' OD1' ' A' ' 67' ' ' ASP . 21.7 t0 -91.54 75.27 5.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.219 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.949 HD22 HD11 ' A' ' 10' ' ' ILE . 3.8 mt -54.53 -19.64 6.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -68.31 -8.33 38.77 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.7 mttp -134.14 19.04 3.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.347 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.507 HG13 HD23 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -62.6 163.6 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 73' ' ' PHE . 20.4 mt-30 -149.73 63.37 1.0 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 72' ' ' GLN . 25.5 m-85 -36.15 153.41 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 111.063 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 164.55 33.19 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.551 1.817 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -115.38 87.3 2.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 109.188 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -153.0 92.2 1.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.439 1.087 . . . . 0.0 109.259 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 54.21 87.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -154.42 71.2 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.437 1.085 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.7 tttm -120.77 106.25 11.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.467 ' CG2' ' HD2' ' A' ' 81' ' ' PRO . 50.8 m -130.32 143.55 49.66 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.365 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.467 ' HD2' ' CG2' ' A' ' 80' ' ' THR . 18.6 Cg_endo -74.94 68.75 5.65 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 0.0 110.998 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 95.4 p -89.9 138.1 31.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.034 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -93.22 156.06 22.6 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.48 1.112 . . . . 0.0 111.027 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 101.54 1.48 Allowed 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.6 t -82.67 -58.37 2.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.55 1.156 . . . . 0.0 109.986 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.6 t 78.31 140.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 109.967 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.477 1.111 . . . . 0.0 111.025 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -152.77 102.24 2.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 0.801 . . . . 0.0 109.957 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.3 p -119.52 156.41 30.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.446 1.091 . . . . 0.0 110.012 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.22 84.43 0.05 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.1 t -177.18 123.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 110.041 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.4 108.35 20.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 110.024 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.9 47.04 62.73 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -40.6 -75.84 0.11 Allowed Glycine 0 CA--C 1.529 0.944 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.423 ' O ' HG23 ' A' ' 11' ' ' ILE . 4.1 pt-20 -136.32 130.22 32.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 0.737 . . . . 0.0 110.338 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.858 HD11 HD22 ' A' ' 68' ' ' LEU . 10.4 mm -69.11 109.14 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.612 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.5 pp -108.57 168.97 3.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.513 ' O ' HD12 ' A' ' 11' ' ' ILE . 45.0 mt-10 -74.0 126.57 30.78 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.56 -28.23 7.57 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.448 1.092 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.584 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 13.2 m -52.48 138.43 27.63 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.9 mtm105 -112.69 121.59 45.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.821 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.68 153.24 39.2 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 107.4 2.47 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.487 1.783 . . . . 0.0 111.037 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.826 HG21 HG11 ' A' ' 48' ' ' VAL . 51.6 t -91.19 116.48 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.9 tp -42.81 152.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -165.79 101.63 0.68 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.1 mtt85 -87.23 105.41 17.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.452 1.095 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -67.48 178.76 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -49.49 -52.45 29.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 110.247 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.483 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 49.6 m-20 -51.95 -23.13 4.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.452 1.095 . . . . 0.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 26.9 t30 81.32 48.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 28' ' ' GLU . 31.4 mt-10 -107.88 107.97 18.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.438 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 7.4 p-10 -53.72 93.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 26' ' ' GLU . 6.5 tt0 -92.43 163.11 13.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.424 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 96.4 m95 -137.17 65.04 49.77 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 108.022 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.424 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -75.01 148.54 35.38 Favored 'Trans proline' 0 C--N 1.358 1.07 0 O-C-N 124.493 1.786 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.545 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -59.64 129.89 44.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.768 ' HB1' ' HB ' ' A' ' 48' ' ' VAL . . . -136.04 136.2 40.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.077 . . . . 0.0 109.31 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -109.76 134.12 52.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.117 . . . . 0.0 110.234 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.5 mm -65.31 135.62 28.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 48.1 mt -115.33 -49.81 2.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.26 148.16 26.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.986 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.662 HG22 ' HD2' ' A' ' 46' ' ' PHE . 90.0 t -110.34 167.57 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.533 ' N ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -159.26 -178.96 7.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.206 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -161.22 124.92 3.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.085 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.704 HD12 HD22 ' A' ' 45' ' ' LEU . 12.3 mt -128.83 72.19 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.8 52.51 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.99 -24.23 14.05 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.135 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.616 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -79.33 86.33 5.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 110.293 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 2.8 mtmt -72.9 128.55 35.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.704 HD22 HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -110.21 142.28 41.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.662 ' HD2' HG22 ' A' ' 37' ' ' VAL . 13.4 m-85 -135.76 127.28 28.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 58' ' ' ASP . 6.9 t80 -87.27 97.6 10.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.45 1.094 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.826 HG11 HG21 ' A' ' 18' ' ' VAL . 31.4 m -97.44 164.25 2.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.433 ' O ' HD13 ' A' ' 51' ' ' ILE . 9.2 t60 -136.68 115.99 12.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.665 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -65.86 73.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 111.056 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.545 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -40.27 108.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.525 1.141 . . . . 0.0 109.257 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 176.39 113.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.103 . . . . 0.0 109.28 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -49.67 122.68 6.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 111.025 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -172.52 -77.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.18 28.12 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.344 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.77 97.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.142 . . . . 0.0 110.24 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.46 107.2 18.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.262 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 47' ' ' TYR . 4.4 m-20 -129.74 127.89 41.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -161.38 157.05 24.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.446 ' CE3' ' HB3' ' A' ' 45' ' ' LEU . 85.3 m95 -75.46 158.84 32.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 108.018 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.713 HG11 HG11 ' A' ' 18' ' ' VAL . 34.2 m -148.58 -171.65 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.6 p -123.53 167.8 13.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.423 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.686 ' HA ' HD12 ' A' ' 66' ' ' LEU . 11.9 t-80 -61.49 -35.68 78.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.182 . . . . 0.0 109.623 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -50.66 -39.22 50.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.24 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 35.1 mtt85 -78.53 -31.71 47.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.687 HD23 HG22 ' A' ' 18' ' ' VAL . 25.3 mt -68.43 111.42 4.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.373 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.404 ' C ' ' N ' ' A' ' 69' ' ' LYS . 19.2 t0 -96.25 73.41 2.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.858 HD22 HD11 ' A' ' 10' ' ' ILE . 2.9 mt -50.71 -22.18 1.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 67' ' ' ASP . 13.7 mttt -64.75 -10.88 30.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -131.34 14.19 5.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.544 HG13 HD23 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -54.78 165.72 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 73' ' ' PHE . 25.1 mt-30 -154.08 61.94 0.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.584 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 31.0 m-85 -37.2 152.77 0.11 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.398 1.061 . . . . 0.0 110.98 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 164.91 32.41 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.472 1.775 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -100.86 77.22 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -148.59 83.96 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 47.12 92.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -95.23 138.44 32.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.18 104.45 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 64.3 p -109.74 156.93 38.93 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.579 1.174 . . . . 0.0 110.425 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 158.55 42.26 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.509 1.794 . . . . 0.0 111.013 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.9 t -60.29 -52.3 65.87 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.415 1.072 . . . . 0.0 110.054 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.401 ' HA2' ' HD3' ' A' ' 84' ' ' PRO . . . 98.33 142.86 13.8 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.14 . . . . 0.0 110.974 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.401 ' HD3' ' HA2' ' A' ' 83' ' ' GLY . 18.3 Cg_endo -74.97 133.95 17.27 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.531 1.806 . . . . 0.0 111.043 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.0 t 61.03 123.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.973 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 86.1 p -179.37 88.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.055 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.09 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 m 66.46 103.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 0.722 . . . . 0.0 109.949 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.3 p -167.52 171.22 10.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.966 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.56 155.41 24.04 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.2 m -119.09 159.1 24.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 0.75 . . . . 0.0 110.06 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 8' ' ' GLY . 1.6 m -82.12 140.42 33.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.995 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.99 -96.05 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 6' ' ' SER . . . 98.16 -74.83 0.59 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -138.23 126.16 22.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 0.77 . . . . 0.0 110.32 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.897 HD11 HD22 ' A' ' 68' ' ' LEU . 13.2 mm -77.21 114.31 17.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 109.185 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.64 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.3 pp -116.31 169.14 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.579 ' N ' HD12 ' A' ' 11' ' ' ILE . 76.3 mt-10 -73.19 123.44 23.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.41 -27.64 6.86 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.412 1.07 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.532 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 19.6 m -54.28 137.32 41.68 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.7 mtm105 -113.24 121.69 45.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.832 ' N ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -149.11 154.53 39.44 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.27 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 113.92 3.9 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.478 1.778 . . . . 0.0 110.947 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.905 HG21 HG21 ' A' ' 48' ' ' VAL . 69.5 t -94.9 111.05 24.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.42 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 0.6 OUTLIER -57.26 133.71 55.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.556 ' HD3' ' CD1' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -157.29 72.44 0.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.336 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 20' ' ' ARG . 88.1 mtt180 -37.28 138.09 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 25' ' ' ASN . 7.0 p30 -99.42 179.79 4.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.434 ' C ' ' N ' ' A' ' 25' ' ' ASN . 2.2 tt0 -43.55 -62.8 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 110.31 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.49 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 92.1 m-20 -43.3 -27.82 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 4.5 t30 81.6 44.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -110.88 102.3 10.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 110.243 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.436 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 5.8 p-10 -40.39 104.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -96.82 172.8 7.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.429 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 98.0 m95 -149.2 64.7 7.56 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 107.995 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.429 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -74.99 146.04 32.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.445 1.761 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.662 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -61.24 131.04 49.13 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.574 1.171 . . . . 0.0 109.348 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.753 ' HB3' HG23 ' A' ' 18' ' ' VAL . . . -135.96 145.37 46.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -116.66 134.96 54.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.459 HD13 HG12 ' A' ' 48' ' ' VAL . 5.0 mm -67.67 138.79 22.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.432 HD12 ' CD2' ' A' ' 47' ' ' TYR . 47.5 mt -118.5 -46.41 2.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.72 147.97 23.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.598 HG22 ' HD2' ' A' ' 46' ' ' PHE . 64.1 t -110.5 168.46 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.963 ' HE3' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -162.35 -176.7 5.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.408 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.8 OUTLIER -161.33 122.39 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.963 HD11 ' HE3' ' A' ' 38' ' ' LYS . 83.2 mt -140.11 107.1 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.11 54.26 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.006 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 64.11 10.48 40.72 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.429 1.081 . . . . 0.0 111.017 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.737 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -107.98 101.22 10.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.52 0.776 . . . . 0.0 110.327 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.588 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -77.81 130.16 36.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.354 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.737 HD13 ' CD ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -107.39 153.12 23.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.643 ' O ' HG22 ' A' ' 61' ' ' VAL . 26.7 m-85 -147.04 116.33 6.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.952 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 58' ' ' ASP . 9.9 t80 -79.44 94.18 5.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.976 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.905 HG21 HG21 ' A' ' 18' ' ' VAL . 18.7 m -96.62 158.32 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.412 1.07 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -127.93 118.21 23.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.626 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.556 ' CD1' ' HD3' ' A' ' 20' ' ' ARG . 46.0 m-85 -65.6 96.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.662 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -79.89 84.78 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -179.21 114.68 0.06 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 109.374 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 49.44 -178.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 61.85 149.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -60.14 -70.55 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.72 144.43 11.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 110.267 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -125.41 -78.3 0.6 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 47' ' ' TYR . 2.5 m-20 65.85 120.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -157.49 159.32 37.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.344 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.439 ' CE3' ' HB3' ' A' ' 45' ' ' LEU . 92.8 m95 -81.08 143.68 32.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 107.946 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.788 HG11 HG11 ' A' ' 18' ' ' VAL . 34.8 m -138.93 177.65 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 53.2 p -110.14 176.83 4.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.349 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.645 ' HA ' HD12 ' A' ' 66' ' ' LEU . 1.3 t60 -74.89 -19.01 60.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 109.644 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -61.91 -38.9 90.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 110.352 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -84.78 -22.41 29.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' ' 63' ' ' HIS . 76.5 mt -71.27 98.11 1.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 67' ' ' ASP . 19.4 t0 -85.55 75.59 10.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.897 HD22 HD11 ' A' ' 10' ' ' ILE . 4.1 mt -55.01 -18.98 5.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.237 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -68.64 -8.03 38.51 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -133.39 17.42 4.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.49 HG13 HD23 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -59.35 161.95 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 73' ' ' PHE . 7.0 mt-30 -149.1 61.77 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.532 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 28.2 m-85 -36.01 153.35 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.169 . . . . 0.0 111.031 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 157.31 43.01 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.5 1.79 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -100.08 74.45 1.78 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -148.32 64.79 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -158.52 146.19 18.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.77 87.02 4.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.363 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -55.99 107.66 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.445 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 9.1 t -121.74 145.17 42.51 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.375 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 80' ' ' THR . 18.3 Cg_endo -75.0 114.68 4.08 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.468 1.773 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.54 169.42 17.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.971 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -83.71 -175.94 51.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 177.38 8.68 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.442 1.759 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.4 t -126.17 140.33 52.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.89 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.3 t -113.56 -58.57 2.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.034 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.563 1.164 . . . . 0.0 111.035 179.925 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t 48.6 88.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 109.995 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.9 p -121.7 97.27 5.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.026 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.16 -157.24 24.0 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.3 t -170.49 154.33 4.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 0.796 . . . . 0.0 110.028 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.1 104.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.941 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.8 46.77 93.02 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.469 1.106 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -38.96 -76.84 0.07 OUTLIER Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -135.89 130.07 33.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 0.0 110.292 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.79 HD11 HD22 ' A' ' 68' ' ' LEU . 10.7 mm -70.59 108.39 2.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.746 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.4 pp -108.52 166.75 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.404 ' N ' HD12 ' A' ' 11' ' ' ILE . 59.9 mt-10 -70.83 124.51 24.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.43 -29.4 5.7 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.547 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 18.9 m -52.86 137.63 31.65 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -114.67 120.73 41.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.826 ' N ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -149.46 155.71 39.2 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.1 Cg_endo -75.02 118.18 5.17 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.541 1.811 . . . . 0.0 110.992 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 1.064 HG21 HG21 ' A' ' 48' ' ' VAL . 70.2 t -97.01 107.63 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 18' ' ' VAL . 9.8 tp -39.83 151.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.402 1.064 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.424 ' HA ' ' NH1' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -169.87 111.45 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.219 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.7 mtt85 -88.81 101.57 14.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.409 1.068 . . . . 0.0 110.312 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 25' ' ' ASN . 22.8 m-80 -59.79 179.56 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -50.95 -44.25 60.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.357 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 5.9 m-20 -60.14 -21.01 61.09 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.51 1.132 . . . . 0.0 109.315 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.462 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 1.5 t-20 79.53 40.34 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -103.22 104.53 14.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.44 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 5.0 p-10 -47.3 102.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -96.27 171.52 8.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.266 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.426 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.5 m95 -146.49 64.68 9.73 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 107.991 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.467 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -74.95 147.53 34.28 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.476 1.777 . . . . 0.0 111.03 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.454 ' HA ' HD22 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -65.86 133.77 51.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.08 . . . . 0.0 109.283 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.581 ' HB3' HG23 ' A' ' 18' ' ' VAL . . . -138.31 149.41 45.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.366 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -117.63 131.42 56.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 110.309 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.762 HD13 HG12 ' A' ' 48' ' ' VAL . 4.7 mm -65.83 136.55 26.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.363 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 39.2 mt -117.73 -43.34 2.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.88 147.88 18.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.037 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.622 HG22 ' HD2' ' A' ' 46' ' ' PHE . 66.1 t -110.34 168.93 3.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.607 1.192 . . . . 0.0 109.227 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.56 ' N ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -159.43 -178.23 6.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -162.82 124.05 2.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.464 1.102 . . . . 0.0 109.362 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.646 HD12 HD22 ' A' ' 45' ' ' LEU . 6.1 mt -127.5 77.14 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.32 43.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.974 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.38 -29.54 11.7 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.526 1.141 . . . . 0.0 110.958 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.575 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -72.59 85.58 1.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.595 0.821 . . . . 0.0 110.316 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -72.6 125.49 27.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.646 HD22 HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -108.69 141.34 40.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.622 ' HD2' HG22 ' A' ' 37' ' ' VAL . 14.7 m-85 -134.31 121.04 20.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 58' ' ' ASP . 6.9 t80 -80.36 88.32 5.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.064 HG21 HG21 ' A' ' 18' ' ' VAL . 14.5 m -95.49 138.19 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.385 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.474 ' CE1' HD22 ' A' ' 57' ' ' LEU . 28.9 t60 -110.15 115.74 30.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.621 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -60.22 133.94 56.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.573 1.171 . . . . 0.0 111.002 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.32 13.38 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -137.54 121.03 17.15 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.553 1.158 . . . . 0.0 109.239 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 10.7 t80 57.6 114.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.398 1.061 . . . . 0.0 110.968 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 51.4 p-10 -63.88 161.47 15.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 178.42 -48.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.334 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.06 -47.7 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.355 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.474 HD22 ' CE1' ' A' ' 49' ' ' HIS . 62.9 mt 65.28 124.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.579 1.174 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 47' ' ' TYR . 29.4 m-20 54.76 102.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -152.75 143.71 22.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 110.376 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 90.3 m95 -74.17 141.52 45.52 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.521 1.138 . . . . 0.0 107.945 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.752 HG11 HG11 ' A' ' 18' ' ' VAL . 6.1 m -143.05 168.57 13.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.57 1.169 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.9 p -96.26 -159.05 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.413 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.637 ' HA ' HD12 ' A' ' 66' ' ' LEU . 1.5 t60 -100.14 -11.05 20.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.623 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -70.01 -34.13 72.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.302 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -85.1 -27.46 26.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 110.26 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' A' ' 63' ' ' HIS . 74.4 mt -65.23 112.38 3.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.402 ' C ' ' N ' ' A' ' 69' ' ' LYS . 8.8 t0 -100.03 73.35 1.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.348 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.79 HD22 HD11 ' A' ' 10' ' ' ILE . 3.9 mt -51.44 -21.37 2.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 67' ' ' ASP . 2.5 mttt -66.76 -9.64 38.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.592 1.182 . . . . 0.0 109.257 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -133.59 21.62 3.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.585 HG13 HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -65.19 167.14 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' PHE . 37.1 mt-30 -154.31 61.87 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.286 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.547 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 29.2 m-85 -36.5 152.58 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 75' ' ' LYS . 18.2 Cg_endo -75.05 148.18 34.75 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.505 1.792 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 74' ' ' PRO . 22.2 tttm 39.56 62.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -149.48 141.99 24.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -159.67 99.34 1.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -107.22 70.63 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.19 178.51 1.71 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.1 p -57.16 157.75 11.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.423 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 124.63 8.74 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.496 1.787 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 38.0 p -127.34 -61.72 1.13 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.399 1.062 . . . . 0.0 109.977 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 147.22 103.27 0.33 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.456 1.098 . . . . 0.0 110.952 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 176.33 10.07 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.423 1.749 . . . . 0.0 110.989 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.09 100.68 5.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.7 p 54.8 168.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.044 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.467 1.104 . . . . 0.0 110.923 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.077 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 t 61.34 167.68 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 0.789 . . . . 0.0 110.023 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.7 p -139.37 159.5 42.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.98 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.34 101.23 1.54 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.519 1.137 . . . . 0.0 110.95 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -173.24 112.4 0.21 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 0.745 . . . . 0.0 110.022 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.62 -70.92 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.422 1.076 . . . . 0.0 110.004 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . -125.92 44.15 1.28 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -37.71 -77.95 0.05 OUTLIER Glycine 0 CA--C 1.531 1.077 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 11' ' ' ILE . 4.2 pt-20 -136.47 131.3 33.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 0.796 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.684 HD11 HD22 ' A' ' 68' ' ' LEU . 8.2 mm -67.21 103.66 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.25 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.499 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.9 pp -99.6 170.06 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.456 ' O ' HD12 ' A' ' 11' ' ' ILE . 47.3 mt-10 -75.52 123.14 24.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.583 1.177 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.06 -33.73 4.28 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.565 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 17.6 m -47.17 139.66 5.85 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.7 mtm105 -115.98 121.31 41.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.824 ' N ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -147.4 155.44 46.0 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.459 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.3 Cg_endo -74.98 107.85 2.58 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.452 1.764 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.686 HG11 HG21 ' A' ' 48' ' ' VAL . 56.6 t -92.08 117.19 34.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.507 HD11 ' OD1' ' A' ' 27' ' ' ASP . 14.8 tp -43.07 130.6 4.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.343 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.0 ttt-85 -145.74 96.63 2.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.25 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.9 mtm-85 -59.26 164.02 3.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.575 1.172 . . . . 0.0 110.248 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -120.97 179.9 4.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -61.92 -16.77 53.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.49 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 2.1 m-20 -99.48 -8.07 25.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 2.2 t-20 80.83 30.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 28' ' ' GLU . 8.4 mt-10 -85.83 100.89 12.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.507 ' OD1' HD11 ' A' ' 19' ' ' LEU . 4.1 m-20 -52.31 92.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' GLU . 13.4 tt0 -86.23 169.23 13.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.363 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.403 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 95.8 m95 -140.86 66.08 25.42 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 107.984 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.459 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.03 154.73 42.57 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.577 1.83 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.481 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.6 OUTLIER -67.48 127.87 34.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.335 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.604 ' HB3' HG23 ' A' ' 18' ' ' VAL . . . -132.17 142.94 49.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -113.03 140.65 47.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.348 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.497 ' O ' HD23 ' A' ' 35' ' ' LEU . 3.3 mm -73.04 143.68 13.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.497 HD23 ' O ' ' A' ' 34' ' ' ILE . 35.8 mt -124.46 -49.38 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.57 144.05 21.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.072 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.813 HG22 ' HD2' ' A' ' 46' ' ' PHE . 86.3 t -106.78 168.16 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.613 1.196 . . . . 0.0 109.294 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.547 ' N ' HG12 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -157.61 -178.31 7.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.243 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -161.03 124.28 3.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.692 HD12 HD22 ' A' ' 45' ' ' LEU . 15.9 mt -129.11 73.23 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 72.34 50.41 0.2 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.458 1.099 . . . . 0.0 110.041 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.84 -26.67 11.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.458 1.098 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.568 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -75.91 82.53 2.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 110.327 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 2.7 mtmt -70.73 123.61 22.32 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.692 HD22 HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -104.86 151.27 24.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.813 ' HD2' HG22 ' A' ' 37' ' ' VAL . 20.6 m-85 -143.75 123.67 13.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -81.67 93.97 6.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.173 . . . . 0.0 110.957 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.686 HG21 HG11 ' A' ' 18' ' ' VAL . 18.7 m -95.79 152.66 3.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -129.19 115.95 18.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.588 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.425 ' HD2' HD22 ' A' ' 57' ' ' LEU . 24.6 m-85 -60.83 124.47 20.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.481 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -107.56 47.45 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.01 168.49 15.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -50.11 117.67 2.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.754 ' HB3' HD11 ' A' ' 57' ' ' LEU . 0.5 OUTLIER 170.01 -160.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.255 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -152.94 151.81 30.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 110.309 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 42.63 77.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.233 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.754 HD11 ' HB3' ' A' ' 54' ' ' ASN . 3.0 mt -116.29 129.37 56.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' A' ' 57' ' ' LEU . 3.7 p-10 168.58 116.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -162.02 149.51 14.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 110.263 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -77.11 147.46 36.6 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.624 HG11 HG11 ' A' ' 18' ' ' VAL . 3.5 m -139.03 177.47 4.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.237 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 27.9 p -106.51 -159.72 0.71 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.513 1.133 . . . . 0.0 110.453 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.763 ' HA ' HD12 ' A' ' 66' ' ' LEU . 1.7 t60 -97.78 -8.78 27.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.612 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -77.25 -36.16 54.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 110.241 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.8 mtt85 -75.76 -28.53 58.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.763 HD12 ' HA ' ' A' ' 63' ' ' HIS . 20.3 mt -67.59 129.41 39.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.413 ' C ' ' N ' ' A' ' 69' ' ' LYS . 10.2 t0 -114.71 72.45 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.684 HD22 HD11 ' A' ' 10' ' ' ILE . 1.5 mt -50.72 -21.16 1.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.241 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.413 ' N ' ' C ' ' A' ' 67' ' ' ASP . 12.5 mttt -62.82 -11.75 20.03 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -133.95 12.33 3.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.459 HG23 ' N ' ' A' ' 72' ' ' GLN . 0.3 OUTLIER -47.94 168.54 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.459 ' N ' HG23 ' A' ' 71' ' ' ILE . 4.0 mt-30 -155.43 61.04 0.62 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.565 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 31.8 m-85 -38.37 155.21 0.12 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 172.75 15.75 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.536 1.809 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.2 tttp -154.8 62.28 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.409 1.068 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.2 mttp 75.48 163.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.28 108.41 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.419 1.075 . . . . 0.0 110.276 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -150.88 131.83 14.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.249 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.6 tttm -71.7 77.11 0.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.421 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 4.8 t -46.69 136.22 7.7 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.4 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 80' ' ' THR . 18.1 Cg_endo -75.07 152.06 39.98 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.447 1.762 . . . . 0.0 110.95 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.6 m -95.59 163.79 13.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 109.972 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -160.82 151.06 21.42 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.525 1.141 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 154.64 42.83 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.422 1.749 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 95.7 p -175.84 148.93 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.956 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.4 t 65.17 126.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.996 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 p -147.33 107.87 4.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 0.785 . . . . 0.0 109.949 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 t -75.4 144.06 42.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.79 96.89 0.16 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.444 1.09 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 t -151.37 132.47 14.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 0.744 . . . . 0.0 109.961 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.2 m -113.12 117.15 31.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.036 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 39.33 41.9 1.65 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -37.87 -72.57 0.17 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -138.31 131.81 30.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 0.762 . . . . 0.0 110.312 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.708 HD11 HD22 ' A' ' 68' ' ' LEU . 11.9 mm -69.77 107.01 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.604 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.6 pp -106.4 168.54 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.406 1.066 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.459 ' N ' HD12 ' A' ' 11' ' ' ILE . 49.9 mt-10 -72.51 123.94 24.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.17 -29.26 6.03 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.523 1.139 . . . . 0.0 111.043 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.416 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 33.0 m -51.78 134.96 30.29 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.458 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 4.1 mtt180 -113.51 123.01 48.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.842 ' N ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -149.17 154.06 38.67 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.196 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 110.37 3.1 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.453 1.765 . . . . 0.0 110.973 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.671 HG11 HG11 ' A' ' 61' ' ' VAL . 72.0 t -90.25 144.14 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.601 HD11 ' OD2' ' A' ' 27' ' ' ASP . 14.2 tp -70.74 145.47 50.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -161.76 105.55 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.232 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 26.8 mtt180 -90.04 105.52 17.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.288 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -66.39 178.52 1.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -40.17 61.49 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.459 1.1 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 4.2 m-20 -62.61 -18.07 61.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.163 . . . . 0.0 109.348 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 6.8 t30 81.82 26.85 0.18 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.411 1.069 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 28' ' ' GLU . 29.6 mt-10 -92.28 100.34 12.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.266 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.601 ' OD2' HD11 ' A' ' 19' ' ' LEU . 1.1 m-20 -46.81 95.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 26' ' ' GLU . 36.1 tt0 -87.55 152.74 21.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.601 1.188 . . . . 0.0 110.257 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.427 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 62.6 m95 -134.5 64.8 65.59 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 108.024 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -74.95 135.1 18.73 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.47 1.774 . . . . 0.0 111.066 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.458 ' CD1' ' HD3' ' A' ' 15' ' ' ARG . 0.8 OUTLIER -49.81 125.31 11.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.464 ' HB1' ' HB ' ' A' ' 48' ' ' VAL . . . -128.91 158.11 39.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -127.03 135.37 50.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.486 ' O ' HD23 ' A' ' 35' ' ' LEU . 3.0 mm -67.94 142.24 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.352 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.486 HD23 ' O ' ' A' ' 34' ' ' ILE . 28.8 mt -124.39 -47.65 1.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.7 146.64 26.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.956 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.54 HG12 ' N ' ' A' ' 38' ' ' LYS . 59.6 t -111.66 167.78 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.957 ' HE3' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -161.24 179.52 8.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.405 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.8 OUTLIER -156.35 122.25 4.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.253 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.957 HD11 ' HE3' ' A' ' 38' ' ' LYS . 88.7 mt -143.71 116.53 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 55.17 47.59 21.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.19 6.71 48.27 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.454 1.096 . . . . 0.0 110.951 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.662 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -104.18 101.38 11.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 0.785 . . . . 0.0 110.324 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.582 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -76.4 127.12 32.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.662 HD13 ' CD ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -105.22 145.86 30.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.378 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.582 ' CZ ' ' HB3' ' A' ' 44' ' ' LYS . 27.8 m-85 -139.6 121.55 15.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -80.82 91.53 5.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.665 HG21 HG21 ' A' ' 18' ' ' VAL . 14.8 m -96.26 155.36 3.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.772 ' CE1' HD22 ' A' ' 57' ' ' LEU . 33.9 t60 -113.85 115.13 27.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 0.0 109.592 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -63.16 88.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 111.028 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.2 mt -72.8 73.45 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.231 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -176.25 133.71 0.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.571 ' CD1' ' O ' ' A' ' 53' ' ' PHE . 6.8 p90 -37.5 125.36 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.951 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 171.83 160.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -75.72 -72.88 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 110.337 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.1 mtt85 -50.57 96.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.38 1.05 . . . . 0.0 110.276 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.772 HD22 ' CE1' ' A' ' 49' ' ' HIS . 2.1 mt -115.37 149.26 38.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 57.68 108.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -162.33 156.31 21.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.429 1.081 . . . . 0.0 110.337 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 64.4 m95 -83.05 148.15 27.71 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.671 HG11 HG11 ' A' ' 18' ' ' VAL . 29.2 m -136.94 -173.81 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.221 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 35.6 p -119.04 174.53 6.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 110.421 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.66 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -68.6 -43.7 75.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.606 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.97 -32.59 6.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.0 mtt85 -82.18 -28.24 32.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 63' ' ' HIS . 50.1 mt -70.62 123.79 22.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -106.45 74.03 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.708 HD22 HD11 ' A' ' 10' ' ' ILE . 3.2 mt -53.39 -20.52 4.63 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -67.31 -9.46 41.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -135.78 25.35 3.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.547 HG13 HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -68.36 159.9 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 73' ' ' PHE . 32.8 mt-30 -145.01 63.78 1.29 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.416 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 23.7 m-85 -37.44 154.01 0.11 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 152.47 41.1 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.538 1.809 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -74.91 101.24 4.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.31 121.87 24.23 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.611 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -66.27 130.73 44.2 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.111 . . . . 0.0 110.341 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . 78.1 157.43 0.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -174.76 111.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.0 t -62.42 146.67 93.09 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.384 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 117.81 5.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.47 1.774 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.3 150.7 34.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 110.066 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 75.67 171.81 31.24 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.435 1.084 . . . . 0.0 110.981 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 164.04 34.02 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.458 1.768 . . . . 0.0 110.959 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.7 t -88.8 -85.89 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.99 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.74 -12.48 50.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.562 1.164 . . . . 0.0 110.019 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.57 -60.96 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 0.784 . . . . 0.0 110.019 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 50.4 97.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.041 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.96 -138.18 3.0 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.87 118.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 0.745 . . . . 0.0 109.955 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t -175.24 157.32 2.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.046 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . -83.03 48.71 4.09 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.546 1.154 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -37.65 -78.94 0.04 OUTLIER Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.424 ' O ' HG23 ' A' ' 11' ' ' ILE . 4.2 pt-20 -137.22 132.07 33.33 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.544 0.79 . . . . 0.0 110.333 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.733 HD11 HD22 ' A' ' 68' ' ' LEU . 9.0 mm -68.82 108.64 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.604 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.5 pp -108.13 168.2 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.371 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.469 ' N ' HD12 ' A' ' 11' ' ' ILE . 77.5 mt-10 -72.36 123.77 23.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.97 -30.03 5.81 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.424 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 20.0 m -49.89 136.19 18.62 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.4 mtm105 -114.13 120.23 39.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.143 . . . . 0.0 110.368 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.826 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -147.35 154.27 45.31 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 106.5 2.29 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.541 1.811 . . . . 0.0 110.981 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.791 HG11 HG11 ' A' ' 61' ' ' VAL . 52.5 t -89.59 113.03 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.4 tp -41.43 136.99 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -143.56 105.39 4.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -89.29 95.93 10.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' A' ' 25' ' ' ASN . 17.1 m-80 -60.74 176.59 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.42 -46.75 47.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.339 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.475 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 16.9 m-20 -57.65 -20.8 35.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 2.5 t-20 80.51 38.17 0.09 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.522 1.139 . . . . 0.0 109.354 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 28' ' ' GLU . 31.9 mt-10 -96.23 104.14 16.08 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.444 1.09 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -53.02 91.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 0.0 109.364 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' GLU . 28.4 tt0 -92.09 168.66 11.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.418 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 99.2 m95 -136.92 64.87 50.94 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 107.949 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.1 Cg_endo -75.02 144.34 30.06 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.416 1.745 . . . . 0.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.51 ' HA ' HD22 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -60.39 133.92 56.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.274 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.681 ' HB1' ' HB ' ' A' ' 48' ' ' VAL . . . -136.51 144.22 44.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -117.06 130.16 56.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.262 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.449 ' O ' HD23 ' A' ' 35' ' ' LEU . 4.4 mm -64.28 138.2 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.449 HD23 ' O ' ' A' ' 34' ' ' ILE . 35.3 mt -119.75 -45.63 2.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.29 146.53 21.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.007 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.788 HG22 ' HD2' ' A' ' 46' ' ' PHE . 87.0 t -108.05 168.01 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.544 ' N ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -159.82 -175.85 5.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.17 . . . . 0.0 109.266 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -163.99 121.86 1.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.709 ' CD1' HD22 ' A' ' 45' ' ' LEU . 3.6 mt -124.65 77.06 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.4 49.88 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.416 1.073 . . . . 0.0 110.062 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.44 -22.02 32.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.599 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -79.93 87.3 5.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 0.786 . . . . 0.0 110.303 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.59 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -72.53 126.05 28.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.709 HD22 ' CD1' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -109.14 139.54 43.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.788 ' HD2' HG22 ' A' ' 37' ' ' VAL . 20.8 m-85 -132.87 115.65 15.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.943 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 58' ' ' ASP . 6.8 t80 -75.45 99.16 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 111.053 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.681 ' HB ' ' HB1' ' A' ' 32' ' ' ALA . 10.0 m -99.97 165.7 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.439 ' O ' HD13 ' A' ' 51' ' ' ILE . 86.3 t60 -131.28 115.83 16.81 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.574 1.171 . . . . 0.0 109.636 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -69.57 73.96 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 111.054 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.496 HD11 HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -45.65 102.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.226 -179.925 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -179.03 169.94 1.5 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -79.46 118.22 21.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 169.91 -172.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.4 -78.5 0.49 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 110.374 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.506 ' O ' HD23 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -71.48 123.34 22.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.228 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.506 HD23 ' O ' ' A' ' 56' ' ' ARG . 36.3 mt -145.14 -75.81 0.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -45.07 118.66 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -161.45 160.22 29.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 90.0 m95 -79.11 152.54 30.73 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.791 HG11 HG11 ' A' ' 18' ' ' VAL . 15.9 m -146.07 -177.77 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.077 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 73.4 p -117.87 178.16 4.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 110.361 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.629 ' HA ' HD12 ' A' ' 66' ' ' LEU . 1.6 t60 -74.56 -26.18 59.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.598 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -58.35 -36.12 72.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.417 1.073 . . . . 0.0 110.272 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.423 ' NH1' ' HA ' ' A' ' 61' ' ' VAL . 0.7 OUTLIER -85.78 -23.04 27.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.29 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 63' ' ' HIS . 73.5 mt -70.71 108.54 4.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.406 ' O ' ' OD1' ' A' ' 67' ' ' ASP . 19.9 t0 -97.43 76.96 2.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.733 HD22 HD11 ' A' ' 10' ' ' ILE . 2.8 mt -56.71 -18.1 11.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -68.45 -8.8 43.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -135.16 18.64 3.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.527 HG13 HD23 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -59.78 169.17 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.435 ' N ' HG23 ' A' ' 71' ' ' ILE . 9.0 mt-30 -155.36 61.95 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.424 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 30.5 m-85 -36.46 153.21 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 154.53 42.4 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.498 1.788 . . . . 0.0 111.03 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.7 tmpt? -77.23 102.46 6.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.229 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.72 157.96 44.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -82.73 89.72 6.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -126.57 150.62 48.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.363 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -157.33 110.98 2.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.431 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 3.0 t -161.49 145.8 9.98 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.415 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 80' ' ' THR . 18.4 Cg_endo -75.02 164.02 34.14 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.461 1.769 . . . . 0.0 111.024 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.4 m -135.29 118.18 16.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.135 . . . . 0.0 109.993 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -105.86 143.5 15.72 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.451 1.094 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 143.74 29.3 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.542 1.812 . . . . 0.0 110.943 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.5 m -127.52 -52.16 1.37 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.468 1.105 . . . . 0.0 109.968 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.66 -74.28 0.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.974 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.54 1.15 . . . . 0.0 110.926 -179.96 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.39 86.86 0.81 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.46 0.741 . . . . 0.0 110.01 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.16 165.06 11.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.969 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.04 -144.99 5.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -161.89 103.89 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 110.007 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 m 52.87 98.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.052 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . 96.72 46.22 2.53 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.477 1.111 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -37.78 -76.75 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.051 -0.819 . . . . 0.0 111.051 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.415 ' O ' HG23 ' A' ' 11' ' ' ILE . 3.4 pt-20 -137.01 130.63 31.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.776 HD11 HD22 ' A' ' 68' ' ' LEU . 11.9 mm -70.08 106.28 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.597 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.5 pp -103.78 167.47 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.376 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.491 ' O ' HD12 ' A' ' 11' ' ' ILE . 78.4 mt-10 -72.47 123.67 23.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.258 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.41 -28.66 5.94 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.507 1.13 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.588 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 21.0 m -52.65 137.47 30.79 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -114.37 120.72 41.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.266 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.828 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.59 155.83 41.86 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.1 Cg_endo -75.0 107.88 2.59 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.546 1.814 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.776 HG11 HG11 ' A' ' 61' ' ' VAL . 50.8 t -89.84 112.56 24.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.517 1.135 . . . . 0.0 109.343 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 18' ' ' VAL . 8.4 tp -39.92 150.02 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -164.93 107.27 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 72.8 mtt-85 -89.77 102.76 15.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -57.35 173.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -57.51 -17.27 12.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.328 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 13.6 m-20 -81.04 -16.64 52.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.237 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 14.6 t-20 81.17 30.88 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -100.7 100.46 11.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.432 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 4.9 p-10 -48.42 108.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -100.59 172.38 7.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 110.29 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.454 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 98.1 m95 -147.78 63.54 7.73 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.481 1.113 . . . . 0.0 108.03 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.467 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -74.99 154.26 42.39 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.513 1.796 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.577 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -69.78 127.07 31.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.544 ' HB1' ' HB ' ' A' ' 48' ' ' VAL . . . -132.85 147.22 52.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.378 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -114.66 133.94 55.46 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.567 1.167 . . . . 0.0 110.304 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.484 HD13 HG12 ' A' ' 48' ' ' VAL . 6.1 mm -66.42 136.22 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 55.4 mt -115.7 -52.78 2.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.403 1.065 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.33 143.11 22.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.022 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.731 HG22 ' HD2' ' A' ' 46' ' ' PHE . 93.4 t -104.52 167.47 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.537 ' N ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -157.94 179.96 8.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.407 1.067 . . . . 0.0 109.353 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -159.6 124.45 4.01 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.705 HD12 HD22 ' A' ' 45' ' ' LEU . 11.9 mt -128.93 74.57 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.08 52.94 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.039 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.03 -25.31 10.2 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.399 1.062 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.618 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -78.33 87.61 4.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.777 . . . . 0.0 110.323 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 2.3 mtmt -74.16 130.82 40.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.705 HD22 HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -112.36 145.59 39.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.731 ' HD2' HG22 ' A' ' 37' ' ' VAL . 10.1 m-85 -139.0 119.88 14.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 111.03 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -78.86 91.19 4.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.679 HG21 HG21 ' A' ' 18' ' ' VAL . 6.4 m -96.85 153.89 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.36 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -126.93 116.28 20.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 109.614 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -62.41 109.69 1.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.157 . . . . 0.0 110.96 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.577 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -95.96 62.69 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -134.53 -65.92 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.608 ' O ' HD21 ' A' ' 57' ' ' LEU . 1.1 t80 -163.95 -149.64 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.408 1.067 . . . . 0.0 111.028 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.41 ' O ' HD21 ' A' ' 57' ' ' LEU . 1.9 m120 63.43 157.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 57' ' ' LEU . 0.7 OUTLIER -89.07 -172.11 3.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.6 mtm-85 53.97 -89.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.566 1.166 . . . . 0.0 110.307 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.608 HD21 ' O ' ' A' ' 53' ' ' PHE . 16.5 mt 72.02 -176.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.16 112.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -161.51 157.9 25.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.266 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -82.32 134.89 35.28 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.776 HG11 HG11 ' A' ' 18' ' ' VAL . 25.3 m -129.26 -177.67 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.0 p -114.0 -178.03 3.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.43 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.625 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -76.73 -40.51 48.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.573 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -49.35 -28.78 5.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.356 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 27.9 mtt85 -86.49 -25.31 25.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.257 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' A' ' 63' ' ' HIS . 66.7 mt -71.99 117.22 13.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.406 ' C ' ' N ' ' A' ' 69' ' ' LYS . 8.6 t0 -102.07 72.12 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.776 HD22 HD11 ' A' ' 10' ' ' ILE . 3.9 mt -50.71 -21.89 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 67' ' ' ASP . 1.9 mttt -65.4 -10.22 31.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -135.19 25.87 3.53 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.564 1.165 . . . . 0.0 109.254 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.581 HG13 HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -68.78 165.42 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -152.72 62.93 0.8 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.14 . . . . 0.0 110.272 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.588 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 29.6 m-85 -37.88 152.43 0.14 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 151.0 38.84 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.547 1.814 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -78.6 145.13 34.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.366 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.4 tttm -148.05 148.76 31.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -92.75 76.41 4.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -123.85 171.04 9.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.407 1.067 . . . . 0.0 109.246 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.92 122.39 42.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.0 p -119.68 110.28 37.17 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 70.56 5.27 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.413 1.744 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.0 t -179.79 149.56 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.023 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -129.78 136.24 8.83 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 134.68 18.25 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.483 1.78 . . . . 0.0 111.009 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.96 84.62 0.59 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 110.05 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.4 p -95.88 18.42 13.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.97 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 O-C-N 124.494 1.122 . . . . 0.0 110.991 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 80' ' ' THR . 4.7 m -145.28 147.21 32.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 0.782 . . . . 0.0 110.018 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -71.49 147.5 47.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.03 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.0 -144.73 5.63 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.571 1.169 . . . . 0.0 111.014 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.9 p -179.27 171.12 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 0.74 . . . . 0.0 110.074 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 t -167.13 153.75 8.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.945 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.58 50.92 0.74 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.541 1.15 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -40.76 -78.14 0.06 OUTLIER Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.446 ' O ' HG23 ' A' ' 11' ' ' ILE . 4.5 pt-20 -136.82 131.39 33.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 0.807 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.72 HD11 HD22 ' A' ' 68' ' ' LEU . 11.2 mm -67.65 111.6 2.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.58 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.6 pp -111.85 168.52 4.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.627 1.205 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.476 ' O ' HD12 ' A' ' 11' ' ' ILE . 81.9 mt-10 -72.65 123.19 22.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.254 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.25 -32.55 4.86 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.605 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 16.5 m -49.01 138.63 11.42 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.413 ' CD ' HD11 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -114.35 123.14 48.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.234 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.837 ' N ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -149.02 151.98 35.62 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.586 1.179 . . . . 0.0 109.342 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.405 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.1 Cg_endo -74.98 111.14 3.26 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.487 1.783 . . . . 0.0 110.959 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.86 HG11 HG11 ' A' ' 61' ' ' VAL . 54.6 t -91.52 115.45 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.462 ' HB3' ' CG ' ' A' ' 65' ' ' ARG . 12.6 tp -41.95 144.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.47 ' HD2' ' CZ ' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -164.07 114.39 1.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.263 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.3 mtt85 -89.36 105.19 17.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -65.1 178.78 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.0 -57.91 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.256 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.478 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 0.9 OUTLIER -47.58 -25.17 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.478 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 23.5 t30 81.42 43.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 27' ' ' ASP . 34.8 mt-10 -108.35 104.97 14.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.245 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 8.1 p-10 -40.01 103.06 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -96.36 171.32 8.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.441 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.9 m95 -146.11 64.28 9.79 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 107.993 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.441 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -75.11 147.95 34.2 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.537 1.809 . . . . 0.0 110.998 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.564 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.6 OUTLIER -63.74 130.37 43.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.441 ' N ' HD13 ' A' ' 31' ' ' LEU . . . -135.11 145.87 48.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.603 1.189 . . . . 0.0 109.238 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 22.6 tt0 -114.02 137.96 51.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.248 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.499 ' O ' HD23 ' A' ' 35' ' ' LEU . 3.6 mm -69.97 145.0 13.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.36 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 34' ' ' ILE . 33.1 mt -125.6 -52.21 1.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.79 147.46 28.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 110.03 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.648 HG22 ' HD2' ' A' ' 46' ' ' PHE . 62.8 t -111.06 168.82 4.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.559 ' N ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -161.52 -178.84 6.87 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -161.21 124.3 3.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.395 1.06 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.677 HD12 HD22 ' A' ' 45' ' ' LEU . 11.7 mt -127.65 71.38 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.7 53.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.41 -26.35 9.24 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.565 1.166 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.669 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -77.58 85.51 3.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 110.332 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.587 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -72.77 128.48 35.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.677 HD22 HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -109.6 140.19 43.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.73 ' CD1' HD11 ' A' ' 66' ' ' LEU . 21.6 m-85 -133.76 119.71 19.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.509 ' CZ ' ' HB2' ' A' ' 58' ' ' ASP . 8.2 t80 -80.06 91.52 5.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 111.053 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.803 HG21 HG21 ' A' ' 18' ' ' VAL . 5.2 m -95.47 160.8 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -133.93 115.5 14.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.635 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.47 ' CZ ' ' HD2' ' A' ' 20' ' ' ARG . 47.5 m-85 -62.05 118.95 7.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.094 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.564 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -100.49 151.24 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 163.37 -80.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -119.56 -64.15 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 111.014 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.48 ' CB ' HD11 ' A' ' 57' ' ' LEU . 0.8 OUTLIER -71.52 164.85 25.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.371 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.96 31.86 3.25 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 36.6 ttt-85 -139.1 51.44 1.79 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 110.336 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.48 HD11 ' CB ' ' A' ' 54' ' ' ASN . 0.4 OUTLIER -133.12 58.33 1.77 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 8.7 p30 -99.05 132.32 44.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -161.42 159.48 28.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 45.3 m95 -81.37 144.96 31.08 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.86 HG11 HG11 ' A' ' 18' ' ' VAL . 16.1 m -133.39 -171.62 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.246 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.4 p -123.12 169.58 11.08 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.385 1.053 . . . . 0.0 110.377 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.509 ' HA ' HD12 ' A' ' 66' ' ' LEU . 1.2 t60 -60.32 -45.12 94.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.578 1.174 . . . . 0.0 109.641 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -46.7 -32.84 3.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 110.234 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.807 ' HB3' HG13 ' A' ' 18' ' ' VAL . 7.2 mtt180 -83.72 -28.94 27.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.239 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.73 HD11 ' CD1' ' A' ' 46' ' ' PHE . 46.2 mt -72.37 117.47 14.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.367 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -104.35 73.23 1.1 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.72 HD22 HD11 ' A' ' 10' ' ' ILE . 3.3 mt -52.01 -21.27 2.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -67.22 -9.57 41.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -133.79 18.02 3.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.357 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.511 HG13 HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -59.01 168.25 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.42 ' N ' HG23 ' A' ' 71' ' ' ILE . 15.4 mt-30 -154.88 61.64 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.321 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.605 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 30.4 m-85 -37.19 152.44 0.12 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.953 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 75' ' ' LYS . 18.1 Cg_endo -75.14 146.73 32.51 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 74' ' ' PRO . 36.0 tttt 39.04 67.59 0.42 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.454 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 6.4 pttt -86.11 67.17 9.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -101.93 76.42 1.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 110.26 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -164.9 164.31 20.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.4 mttp -129.04 121.2 27.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.359 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.422 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 41.5 p -132.44 147.1 64.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.363 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 80' ' ' THR . 18.2 Cg_endo -74.97 167.26 27.45 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.499 1.789 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.9 138.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.994 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -139.38 -145.82 4.8 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 167.47 26.94 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.5 1.789 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.4 m 62.13 89.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.021 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.6 p -154.88 86.37 1.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 110.047 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.422 1.076 . . . . 0.0 111.007 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -130.25 164.34 24.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 0.737 . . . . 0.0 110.029 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.7 p 179.25 111.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.032 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.27 -167.89 11.14 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.516 1.135 . . . . 0.0 111.036 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.87 174.58 9.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 110.036 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -105.29 -61.27 1.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.96 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . -162.69 47.19 0.33 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.465 1.103 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -37.71 -80.7 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.472 ' O ' HG23 ' A' ' 11' ' ' ILE . 3.5 pt-20 -134.79 128.85 33.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 0.749 . . . . 0.0 110.28 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.909 HD11 HD22 ' A' ' 68' ' ' LEU . 6.6 mm -66.38 113.9 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.543 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.7 pp -115.75 170.24 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.495 ' O ' HD12 ' A' ' 11' ' ' ILE . 57.3 mt-10 -73.27 123.36 23.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.256 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.48 -27.48 6.9 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.529 1.143 . . . . 0.0 110.966 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.578 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 19.9 m -52.21 138.28 26.45 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.421 ' HB2' ' NH1' ' A' ' 15' ' ' ARG . 3.3 mtm105 -116.05 121.29 41.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.828 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -147.61 154.83 45.08 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.1 Cg_endo -75.01 107.82 2.57 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.436 1.756 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.747 HG11 HG11 ' A' ' 61' ' ' VAL . 49.6 t -90.85 111.47 23.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.406 1.067 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.6 tp -43.31 143.72 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.356 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -155.99 106.18 2.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.5 mtt180 -86.92 103.04 14.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.368 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -66.58 179.44 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -50.9 -47.62 60.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 14.1 m-20 -54.62 -26.28 31.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 4.3 t30 81.45 43.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -105.82 100.69 10.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 1.068 . . . . 0.0 110.328 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.448 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 8.4 p-10 -44.22 100.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -97.42 171.71 8.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.432 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.8 m95 -147.32 64.69 8.94 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 107.979 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.458 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 18.1 Cg_endo -75.04 153.44 41.58 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.467 1.772 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.519 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -68.83 128.4 36.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.63 ' HB1' ' HB ' ' A' ' 48' ' ' VAL . . . -133.13 146.78 51.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -114.39 137.47 51.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 110.241 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.8 mm -71.23 133.26 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.2 mt -113.02 -57.34 2.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -144.74 144.48 31.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.04 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.79 HG22 ' HD2' ' A' ' 46' ' ' PHE . 72.6 t -107.75 168.59 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.778 ' CD ' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -159.03 -179.27 7.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 0.0 109.308 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.713 ' O ' HD13 ' A' ' 40' ' ' ILE . 0.3 OUTLIER -157.26 118.14 3.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.778 HD11 ' CD ' ' A' ' 38' ' ' LYS . 26.1 mm -123.1 86.16 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.71 51.92 4.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 110.002 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.25 -23.83 16.57 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.555 1.159 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.692 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -78.71 91.95 4.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 0.789 . . . . 0.0 110.268 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 1.7 mtmt -76.55 125.8 29.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.692 HD13 ' CD ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -104.75 154.24 20.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.79 ' HD2' HG22 ' A' ' 37' ' ' VAL . 27.8 m-85 -147.1 120.63 9.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.517 ' CZ ' ' HB3' ' A' ' 58' ' ' ASP . 6.7 t80 -81.17 93.41 6.46 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.63 ' HB ' ' HB1' ' A' ' 32' ' ' ALA . 21.8 m -95.62 153.47 3.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -127.61 115.91 19.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 109.591 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -59.76 121.37 11.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.957 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.519 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -106.87 176.69 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' ILE . 36.7 t70 40.53 42.63 1.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.458 ' O ' HD13 ' A' ' 57' ' ' LEU . 2.1 t80 -174.07 89.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.859 ' HB3' HD11 ' A' ' 57' ' ' LEU . 1.6 m-20 59.95 -171.81 0.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -133.88 176.09 8.88 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.493 1.12 . . . . 0.0 110.256 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.9 46.49 19.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.859 HD11 ' HB3' ' A' ' 54' ' ' ASN . 1.1 mt -122.83 87.52 2.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -130.74 120.25 23.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.287 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -153.85 151.03 29.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 0.0 110.354 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 63.3 m95 -74.56 153.49 39.02 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.747 HG11 HG11 ' A' ' 18' ' ' VAL . 19.2 m -143.14 -174.84 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.5 p -118.96 -179.76 3.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.427 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.793 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -73.46 -41.17 63.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.581 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -43.93 -43.68 6.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.278 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -75.67 -31.53 59.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.312 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.793 HD12 ' HA ' ' A' ' 63' ' ' HIS . 36.0 mt -65.71 112.99 3.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.371 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.402 ' C ' ' N ' ' A' ' 69' ' ' LYS . 10.1 t0 -98.63 71.94 1.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.909 HD22 HD11 ' A' ' 10' ' ' ILE . 3.6 mt -51.38 -21.36 2.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 67' ' ' ASP . 4.4 mttt -66.23 -9.93 37.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.5 mttp -131.58 13.67 4.95 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.575 HD11 HD13 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -54.72 159.91 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 73' ' ' PHE . 31.7 mt-30 -147.39 61.87 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.33 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.578 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 26.9 m-85 -36.73 153.77 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 157.12 43.15 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.531 1.806 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -93.89 85.94 4.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.81 139.14 39.43 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.79 79.93 6.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 110.327 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.42 -65.66 0.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.26 85.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 45.0 p -132.51 157.71 77.57 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.362 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 148.92 35.65 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.46 1.768 . . . . 0.0 110.961 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.8 t -166.19 140.23 4.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.928 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 115.38 -108.45 1.9 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.451 1.094 . . . . 0.0 110.98 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 177.96 7.86 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.596 1.84 . . . . 0.0 111.038 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 38.5 t 62.45 118.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.089 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.7 m -71.15 156.81 39.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.008 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.559 1.162 . . . . 0.0 111.022 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 p -74.08 168.58 19.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 0.77 . . . . 0.0 109.967 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.49 -60.35 0.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.17 121.99 0.88 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.0 p -92.97 159.27 15.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 0.81 . . . . 0.0 110.027 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 57.92 91.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . 40.27 48.52 3.65 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -37.82 -79.76 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.463 ' O ' HG23 ' A' ' 11' ' ' ILE . 3.3 pt-20 -136.97 131.36 32.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 0.796 . . . . 0.0 110.364 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.724 HD11 HD22 ' A' ' 68' ' ' LEU . 6.9 mm -67.08 107.24 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.479 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.9 pp -105.95 171.34 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.466 ' O ' HD12 ' A' ' 11' ' ' ILE . 45.3 mt-10 -76.31 122.93 25.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.42 -25.68 7.64 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.9 m -53.64 142.59 22.57 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.417 ' HB3' HD11 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -118.96 120.5 37.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 110.343 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.823 ' N ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.06 154.44 42.96 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.5 Cg_endo -74.96 107.98 2.61 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.556 1.819 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.71 HG21 HG21 ' A' ' 48' ' ' VAL . 66.7 t -90.43 113.19 26.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.407 1.067 . . . . 0.0 109.267 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.5 tp -45.26 130.23 8.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.503 ' HG3' ' CZ ' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -147.08 111.38 5.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -81.97 109.65 16.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.325 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -72.32 -179.96 3.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.416 1.073 . . . . 0.0 109.248 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.4 ' C ' ' N ' ' A' ' 25' ' ' ASN . 4.5 tp60 -46.6 -58.12 4.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 110.304 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 82.9 m-20 -47.21 -25.22 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 4.0 t-20 82.03 38.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 28' ' ' GLU . 33.2 mt-10 -103.38 107.23 17.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -45.84 95.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 26' ' ' GLU . 12.0 tt0 -91.39 168.97 11.17 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.12 . . . . 0.0 110.307 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.418 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 98.4 m95 -137.85 65.29 45.28 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -75.06 148.73 35.46 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.451 1.764 . . . . 0.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.454 ' HA ' HD22 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -67.37 130.21 42.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 0.0 109.23 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.459 ' HA ' HD13 ' A' ' 51' ' ' ILE . . . -134.69 148.87 50.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -116.84 133.73 55.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.627 HD13 HG12 ' A' ' 48' ' ' VAL . 4.1 mm -65.5 145.26 14.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.582 HD23 ' O ' ' A' ' 34' ' ' ILE . 40.3 mt -124.62 -48.4 1.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.335 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.89 143.91 20.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 110.043 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.754 HG22 ' HD2' ' A' ' 46' ' ' PHE . 67.8 t -108.28 168.23 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.631 ' HE3' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -157.95 -176.35 5.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.442 ' O ' HD13 ' A' ' 40' ' ' ILE . 0.6 OUTLIER -159.41 120.67 3.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 109.312 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.631 HD11 ' HE3' ' A' ' 38' ' ' LYS . 13.0 mm -125.41 91.52 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.24 42.82 17.87 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 109.98 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.86 -24.52 30.69 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.129 . . . . 0.0 111.044 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.646 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -75.72 91.89 2.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 110.291 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.583 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -75.33 125.36 28.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.646 HD13 ' CD ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -105.05 154.44 20.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.353 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.754 ' HD2' HG22 ' A' ' 37' ' ' VAL . 21.6 m-85 -147.4 115.81 6.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.999 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 58' ' ' ASP . 6.3 t80 -76.88 92.39 3.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.942 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.71 HG21 HG21 ' A' ' 18' ' ' VAL . 23.8 m -95.6 148.96 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.566 1.166 . . . . 0.0 109.357 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -125.54 116.16 21.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.581 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.503 ' CZ ' ' HG3' ' A' ' 20' ' ' ARG . 25.2 m-85 -58.2 142.13 48.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.598 1.186 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.459 HD13 ' HA ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -126.89 6.43 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -116.23 -68.16 0.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -102.21 158.8 15.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 24.6 p30 -110.87 146.67 36.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.643 1.214 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.5 tpt85 178.13 -44.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -149.25 61.42 1.04 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.253 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' ARG . 8.9 mt -40.17 120.76 1.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.243 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 47' ' ' TYR . 2.5 m-20 60.42 111.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -157.78 159.86 37.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -88.92 142.31 27.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 108.015 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.705 HG11 HG11 ' A' ' 18' ' ' VAL . 27.5 m -138.48 -176.66 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.35 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.4 p -112.12 177.8 4.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 0.0 110.426 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.838 ' HA ' HD12 ' A' ' 66' ' ' LEU . 1.2 t60 -79.49 1.71 24.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.616 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -82.58 -44.11 16.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.241 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.45 -23.62 53.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.838 HD12 ' HA ' ' A' ' 63' ' ' HIS . 38.6 mt -68.34 105.84 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.402 1.064 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.403 ' C ' ' N ' ' A' ' 69' ' ' LYS . 12.3 t0 -92.72 72.58 4.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.27 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.724 HD22 HD11 ' A' ' 10' ' ' ILE . 3.7 mt -51.27 -21.52 2.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 67' ' ' ASP . 8.3 mttt -66.64 -9.6 37.44 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.553 1.158 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.2 mttp -134.2 21.22 3.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.62 HG13 HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -64.24 162.88 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 109.37 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -148.71 65.25 1.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -38.39 154.22 0.14 Allowed Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.557 1.161 . . . . 0.0 110.951 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 151.07 38.85 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.47 1.774 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -72.27 140.98 48.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.396 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.88 135.61 15.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.77 148.42 50.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.267 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -99.77 118.07 35.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -151.57 -78.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.209 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.66 HG22 ' HD2' ' A' ' 81' ' ' PRO . 3.9 m 72.28 145.23 0.11 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 110.432 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.66 ' HD2' HG22 ' A' ' 80' ' ' THR . 18.5 Cg_endo -74.98 96.21 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 0.0 111.075 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.41 111.41 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.032 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 148.87 -99.73 0.2 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.418 1.074 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 99.22 1.23 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.508 1.794 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.9 t -112.73 126.4 55.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.98 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 67.3 m 56.67 101.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 110.005 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.572 1.17 . . . . 0.0 111.047 179.976 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -38.08 -75.73 0.08 OUTLIER Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.449 ' O ' HG23 ' A' ' 11' ' ' ILE . 4.1 pt-20 -137.86 131.36 30.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 0.761 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.674 HD11 HD22 ' A' ' 68' ' ' LEU . 9.6 mm -69.36 108.24 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.661 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.3 pp -106.64 166.68 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.421 1.076 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.517 ' N ' HD12 ' A' ' 11' ' ' ILE . 49.4 mt-10 -70.83 124.48 24.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.42 -28.6 6.46 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.5 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 19.6 m -52.13 137.77 27.13 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.54 121.26 42.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.322 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.825 HD12 ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.92 156.0 40.72 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.237 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.45 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.2 Cg_endo -74.97 108.35 2.7 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.452 1.764 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.816 HG11 HG11 ' A' ' 61' ' ' VAL . 53.9 t -91.57 112.02 24.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.392 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.9 tp -42.31 144.78 0.45 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -164.96 108.78 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -80.63 107.79 13.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -68.6 177.68 2.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.414 1.071 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.431 ' C ' ' N ' ' A' ' 25' ' ' ASN . 1.3 tt0 -44.72 -62.06 1.35 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 8.4 m-20 -42.6 -28.02 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 21.3 t30 82.9 48.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 27' ' ' ASP . 45.2 mt-10 -114.91 106.28 13.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.425 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 8.7 p-10 -39.92 101.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.61 1.194 . . . . 0.0 109.227 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -96.52 170.97 8.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.366 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.425 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.8 m95 -145.62 65.03 10.99 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.479 1.112 . . . . 0.0 108.008 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.45 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 18.1 Cg_endo -74.99 154.08 42.28 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.47 1.774 . . . . 0.0 110.946 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.455 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -71.34 128.16 34.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.587 ' HB1' ' HB ' ' A' ' 48' ' ' VAL . . . -133.01 148.68 52.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 109.369 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -115.44 134.65 54.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.578 HD13 HG12 ' A' ' 48' ' ' VAL . 5.4 mm -67.11 139.62 20.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.424 HD23 ' O ' ' A' ' 34' ' ' ILE . 47.2 mt -119.21 -50.19 2.36 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.31 150.22 30.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.795 HG22 ' HD2' ' A' ' 46' ' ' PHE . 94.5 t -113.19 167.91 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.586 ' HE3' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -160.13 -179.25 7.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.51 124.03 3.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.691 HD12 HD22 ' A' ' 45' ' ' LEU . 13.0 mt -127.3 70.28 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.89 53.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.13 -26.46 8.69 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.651 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -77.3 83.77 3.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.75 . . . . 0.0 110.278 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -70.78 129.19 38.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 109.312 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.691 HD22 HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -109.37 144.8 37.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.795 ' HD2' HG22 ' A' ' 37' ' ' VAL . 25.7 m-85 -138.47 124.78 20.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -86.44 93.15 9.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.676 HG21 HG21 ' A' ' 18' ' ' VAL . 15.6 m -95.91 154.32 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 30.3 t60 -127.45 115.91 19.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.636 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -58.63 131.26 50.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 111.021 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.455 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.264 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 83.9 m95 -74.81 148.83 39.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 107.974 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.816 HG11 HG11 ' A' ' 18' ' ' VAL . 35.2 m -139.72 -171.72 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.3 p -122.57 174.11 7.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.392 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.564 ' HA ' HD12 ' A' ' 66' ' ' LEU . 3.7 t-160 -69.4 -41.01 76.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.649 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -47.42 -32.14 4.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 110.25 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -86.77 -26.28 24.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.58 1.175 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.583 HD11 ' CD1' ' A' ' 46' ' ' PHE . 71.6 mt -71.48 108.87 5.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -94.49 73.62 3.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.674 HD22 HD11 ' A' ' 10' ' ' ILE . 4.0 mt -51.82 -21.48 2.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -67.32 -9.14 38.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -134.54 24.24 3.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.616 HG13 HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -68.9 163.76 3.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 73' ' ' PHE . 35.1 mt-30 -150.6 63.69 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.5 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 26.6 m-85 -37.43 153.88 0.11 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.08 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.139 0 O-C-N 124.534 1.807 . . . . 0.0 111.012 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -37.68 -79.12 0.04 OUTLIER Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.474 ' O ' HG23 ' A' ' 11' ' ' ILE . 4.5 pt-20 -136.03 129.69 32.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.798 HD11 HD22 ' A' ' 68' ' ' LEU . 7.2 mm -66.93 113.68 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.607 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.6 pp -115.47 171.94 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.532 ' N ' HD12 ' A' ' 11' ' ' ILE . 48.9 mt-10 -73.94 124.67 26.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.33 -30.6 5.95 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.433 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 24.3 m -50.26 135.63 21.15 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.406 ' CD ' HD11 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -113.76 122.86 48.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.107 . . . . 0.0 110.291 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.842 HD12 ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -149.38 154.58 38.77 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 113.51 3.81 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.48 1.779 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.747 HG11 HG11 ' A' ' 61' ' ' VAL . 68.2 t -91.77 107.54 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.411 HD13 ' CZ2' ' A' ' 29' ' ' TRP . 7.8 tp -40.05 149.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -165.4 108.4 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.428 ' CG ' ' OD1' ' A' ' 27' ' ' ASP . 9.0 mtt180 -83.52 103.26 12.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.348 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -66.73 178.66 1.25 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.416 ' C ' ' N ' ' A' ' 25' ' ' ASN . 36.8 tt0 -46.52 -58.36 3.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.591 1.182 . . . . 0.0 110.258 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 1.2 m-20 -46.76 -25.48 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 3.1 t-20 82.65 38.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 28' ' ' GLU . 32.7 mt-10 -103.25 98.72 8.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.428 ' OD1' ' CG ' ' A' ' 21' ' ' ARG . 29.5 m-20 -40.22 98.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 109.376 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 26' ' ' GLU . 16.5 tt0 -91.31 169.71 10.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.411 ' CZ2' HD13 ' A' ' 19' ' ' LEU . 98.2 m95 -141.31 65.36 21.56 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.406 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.2 Cg_endo -75.06 126.19 9.77 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.464 1.77 . . . . 0.0 110.968 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.695 HD13 ' N ' ' A' ' 32' ' ' ALA . 1.0 OUTLIER -49.93 150.06 2.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.261 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.695 ' N ' HD13 ' A' ' 31' ' ' LEU . . . -153.4 174.55 14.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -138.53 135.86 35.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.5 mm -71.0 138.16 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.51 HD11 ' HB2' ' A' ' 49' ' ' HIS . 26.5 mt -117.01 -45.38 2.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.85 145.38 17.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.95 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.797 HG22 ' HD2' ' A' ' 46' ' ' PHE . 97.3 t -107.15 167.94 3.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.404 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.55 ' N ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -158.49 -177.62 6.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -161.9 124.07 2.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.681 HD12 HD22 ' A' ' 45' ' ' LEU . 8.0 mt -126.02 73.74 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.19 51.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.398 1.061 . . . . 0.0 110.015 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.7 -28.91 9.18 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.64 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -75.16 87.75 2.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.601 0.824 . . . . 0.0 110.333 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -74.3 127.55 33.28 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.424 1.077 . . . . 0.0 109.325 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.681 HD22 HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -107.26 148.29 29.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.797 ' HD2' HG22 ' A' ' 37' ' ' VAL . 27.2 m-85 -141.92 113.31 7.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.431 1.082 . . . . 0.0 111.042 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.408 ' CD2' HD12 ' A' ' 35' ' ' LEU . 5.1 t80 -75.03 95.52 3.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.586 HG21 HG21 ' A' ' 18' ' ' VAL . 15.9 m -96.0 163.47 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.51 ' HB2' HD11 ' A' ' 35' ' ' LEU . 25.5 t60 -127.25 118.16 23.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.412 1.07 . . . . 0.0 109.618 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -66.6 112.13 3.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -78.6 149.28 32.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 107.973 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.747 HG11 HG11 ' A' ' 18' ' ' VAL . 34.9 m -141.82 -178.37 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 49.6 p -114.21 176.47 5.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 110.403 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.608 ' HA ' HD12 ' A' ' 66' ' ' LEU . 7.0 t-160 -77.1 -13.99 59.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.6 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -68.03 -31.31 70.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -88.99 -28.54 20.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 110.307 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 63' ' ' HIS . 75.7 mt -63.32 116.34 5.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -103.21 73.36 1.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.112 . . . . 0.0 109.242 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.798 HD22 HD11 ' A' ' 10' ' ' ILE . 3.9 mt -51.47 -21.5 2.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.5 mttm -66.0 -10.36 38.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -131.5 14.66 4.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.606 HG13 HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -56.08 159.16 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 73' ' ' PHE . 37.4 mt-30 -146.99 63.27 1.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.247 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.433 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 25.5 m-85 -37.21 152.75 0.11 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 111.004 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.204 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 179.975 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -37.99 -81.62 0.02 OUTLIER Glycine 0 CA--C 1.531 1.085 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 11' ' ' ILE . 2.4 pt-20 -138.62 134.34 33.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 0.794 . . . . 0.0 110.292 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.851 HD11 HD22 ' A' ' 68' ' ' LEU . 7.1 mm -68.16 108.64 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.57 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.8 pp -112.8 170.73 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.485 ' O ' HD12 ' A' ' 11' ' ' ILE . 49.2 mt-10 -71.74 122.99 21.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.5 -29.42 6.38 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 110.947 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.47 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 14.8 m -50.93 138.27 19.45 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -116.07 120.04 37.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.824 HD12 ' H ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -147.68 156.04 44.96 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.457 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.5 Cg_endo -74.96 107.02 2.39 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.427 1.751 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.799 HG11 HG11 ' A' ' 61' ' ' VAL . 50.1 t -90.02 114.45 27.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.443 1.09 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.437 ' HB3' ' CG ' ' A' ' 65' ' ' ARG . 5.3 tp -47.1 149.18 0.98 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.414 1.071 . . . . 0.0 109.201 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 -162.41 106.3 1.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.424 ' NE ' ' OD2' ' A' ' 27' ' ' ASP . 35.6 mtt180 -85.35 103.47 14.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 -66.23 179.16 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -52.04 -48.06 64.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.258 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.477 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 8.3 m-20 -57.57 -22.2 43.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 20.9 t30 80.93 42.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 28' ' ' GLU . 34.3 mt-10 -103.01 89.32 3.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.424 ' OD2' ' NE ' ' A' ' 21' ' ' ARG . 5.1 m-20 -42.64 97.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 26' ' ' GLU . 12.3 tt0 -94.42 169.18 10.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.266 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.427 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.4 m95 -139.14 65.01 35.01 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.457 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -74.99 154.5 42.59 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.521 1.8 . . . . 0.0 110.996 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.434 ' HA ' HD22 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -70.65 128.97 37.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.469 ' HB1' ' HB ' ' A' ' 48' ' ' VAL . . . -133.35 146.36 51.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -113.86 135.41 54.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.246 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.696 HD13 HG12 ' A' ' 48' ' ' VAL . 7.2 mm -68.32 144.05 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.531 HD23 ' O ' ' A' ' 34' ' ' ILE . 41.2 mt -124.66 -50.71 1.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.7 145.46 25.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.013 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.65 HG22 ' HD2' ' A' ' 46' ' ' PHE . 89.3 t -110.62 168.0 4.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.549 ' N ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -160.62 -175.87 5.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.402 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.9 OUTLIER -160.9 119.88 2.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.464 1.103 . . . . 0.0 109.383 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.679 HD12 HD22 ' A' ' 45' ' ' LEU . 11.7 mt -121.14 73.11 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 72.5 54.23 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.94 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.14 -28.26 6.85 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.536 1.147 . . . . 0.0 110.949 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.648 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -75.57 84.85 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 0.737 . . . . 0.0 110.321 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.581 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -69.81 126.63 30.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.679 HD22 HD12 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -104.88 152.6 22.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.65 ' HD2' HG22 ' A' ' 37' ' ' VAL . 21.3 m-85 -145.5 117.65 8.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -79.2 91.82 5.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.555 1.159 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.696 HG12 HD13 ' A' ' 34' ' ' ILE . 11.4 m -95.86 154.7 3.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -130.7 115.86 17.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.616 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -58.82 130.09 45.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.406 HD13 ' HA ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.305 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -77.02 139.14 39.97 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.799 HG11 HG11 ' A' ' 18' ' ' VAL . 32.6 m -128.75 -171.79 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.2 p -123.11 174.52 7.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.405 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.704 ' HA ' HD12 ' A' ' 66' ' ' LEU . 1.2 t-160 -65.78 -44.53 85.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 109.605 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -45.87 -36.78 5.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.292 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.702 ' HB3' HG13 ' A' ' 18' ' ' VAL . 2.6 mtt180 -77.55 -31.47 53.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.092 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.704 HD12 ' HA ' ' A' ' 63' ' ' HIS . 29.4 mt -69.64 115.17 8.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.41 ' C ' ' N ' ' A' ' 69' ' ' LYS . 5.3 t0 -102.39 72.69 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.351 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.851 HD22 HD11 ' A' ' 10' ' ' ILE . 2.9 mt -50.82 -21.43 1.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.41 ' N ' ' C ' ' A' ' 67' ' ' ASP . 0.8 OUTLIER -65.35 -9.82 27.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.2 mttp -135.44 21.77 3.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.615 HD11 HD13 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -63.44 166.06 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 73' ' ' PHE . 14.1 mt-30 -153.3 62.28 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.074 . . . . 0.0 110.331 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.47 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 29.8 m-85 -36.72 153.43 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.936 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.552 1.817 . . . . 0.0 111.024 179.932 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -37.15 -81.14 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.436 ' O ' HG23 ' A' ' 11' ' ' ILE . 3.8 pt-20 -136.33 131.67 34.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 0.747 . . . . 0.0 110.25 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.786 HD11 HD22 ' A' ' 68' ' ' LEU . 7.6 mm -68.13 111.68 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.36 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.643 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.5 pp -114.67 172.53 3.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.536 ' N ' HD12 ' A' ' 11' ' ' ILE . 61.1 mt-10 -74.5 123.49 24.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.266 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.66 -27.01 7.39 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.46 1.1 . . . . 0.0 110.923 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.539 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 22.0 m -52.89 137.52 32.07 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.411 ' HB2' ' NH1' ' A' ' 15' ' ' ARG . 3.5 mtm105 -115.73 120.36 39.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 110.325 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.828 HD12 ' H ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -147.37 155.67 46.06 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.256 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.2 Cg_endo -75.04 108.24 2.67 Favored 'Trans proline' 0 C--N 1.362 1.262 0 O-C-N 124.488 1.783 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.753 HG11 HG11 ' A' ' 61' ' ' VAL . 43.4 t -93.69 125.71 46.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 32.0 tp -42.54 145.28 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.4 ttt85 -160.02 100.49 1.4 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.477 1.111 . . . . 0.0 110.274 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -85.44 105.96 16.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -66.94 172.76 4.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -53.75 -25.29 18.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.341 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 4.8 m-20 -74.71 -21.58 59.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.341 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 25.9 t30 81.16 38.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 0.0 109.325 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 28' ' ' GLU . 33.3 mt-10 -106.37 91.88 3.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -41.14 97.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 26' ' ' GLU . 15.6 tt0 -92.76 169.15 10.7 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.462 1.101 . . . . 0.0 110.258 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.45 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.4 m95 -136.21 63.89 51.6 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 107.988 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.467 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -74.98 150.39 38.16 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.491 1.785 . . . . 0.0 110.962 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.484 ' HA ' HD22 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -64.02 133.25 52.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.439 ' N ' HD13 ' A' ' 31' ' ' LEU . . . -135.21 143.09 46.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.437 1.086 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -112.79 131.46 55.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.704 HD13 HG12 ' A' ' 48' ' ' VAL . 4.5 mm -67.47 140.66 18.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 37.4 mt -119.62 -53.16 2.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.0 145.18 26.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.957 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.765 HG22 ' HD2' ' A' ' 46' ' ' PHE . 91.1 t -109.59 167.97 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.958 ' HE2' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -160.25 -176.37 5.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.418 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -159.62 122.08 3.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.253 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.958 HD11 ' HE2' ' A' ' 38' ' ' LYS . 90.0 mt -141.84 102.99 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.55 47.58 2.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.963 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.27 6.55 47.9 Favored Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.459 1.099 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.69 ' HD2' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -101.73 84.03 2.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 110.325 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -62.66 127.54 31.77 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.407 1.067 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.69 HD13 ' HD2' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -105.21 154.15 20.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.765 ' HD2' HG22 ' A' ' 37' ' ' VAL . 27.0 m-85 -147.25 116.85 7.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -80.46 90.04 5.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.406 1.066 . . . . 0.0 110.947 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.704 HG12 HD13 ' A' ' 34' ' ' ILE . 4.9 m -95.97 153.66 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.315 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -125.47 116.09 21.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.583 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -59.92 129.78 43.53 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 86.4 m95 -86.79 128.58 35.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 107.986 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.753 HG11 HG11 ' A' ' 18' ' ' VAL . 18.2 m -121.67 -171.63 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.632 1.208 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 76.3 p -119.95 179.73 4.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.417 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.61 ' HA ' HD12 ' A' ' 66' ' ' LEU . 3.6 t-160 -75.35 -41.12 57.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.587 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -50.19 -26.22 4.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.451 ' HB3' HG13 ' A' ' 18' ' ' VAL . 16.9 mtt85 -89.39 -24.34 21.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' ' 63' ' ' HIS . 63.0 mt -73.61 112.25 9.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -97.64 74.14 2.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.232 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.786 HD22 HD11 ' A' ' 10' ' ' ILE . 3.4 mt -53.05 -20.27 3.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.127 . . . . 0.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -68.11 -8.36 37.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -135.99 22.66 3.29 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.631 HG13 HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -65.68 160.0 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 73' ' ' PHE . 4.1 mt-30 -146.66 62.69 1.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.539 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 26.5 m-85 -36.89 153.92 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.036 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.484 1.781 . . . . 0.0 110.928 -179.977 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -39.92 -83.05 0.01 OUTLIER Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.457 ' O ' HG23 ' A' ' 11' ' ' ILE . 3.9 pt-20 -138.14 132.42 31.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 110.322 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.837 HD11 HD22 ' A' ' 68' ' ' LEU . 6.6 mm -66.32 111.19 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.564 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.9 pp -114.19 170.11 4.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.427 ' O ' HD12 ' A' ' 11' ' ' ILE . 55.1 mt-10 -72.79 123.22 22.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.19 -30.84 5.68 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.9 m -51.49 141.12 16.45 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.408 ' CD ' HD11 ' A' ' 31' ' ' LEU . 5.5 mtt180 -117.53 122.11 42.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.365 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.841 HD12 ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.75 154.42 40.5 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.2 Cg_endo -75.06 107.5 2.5 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.508 1.794 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.946 HG11 HG11 ' A' ' 61' ' ' VAL . 43.3 t -90.0 114.5 27.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.8 tp -41.94 138.23 1.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.243 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.447 ' CZ ' ' HA ' ' A' ' 22' ' ' ASN . 0.2 OUTLIER -152.53 112.64 4.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -90.71 96.61 10.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 110.316 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.447 ' HA ' ' CZ ' ' A' ' 20' ' ' ARG . 3.5 p30 -58.77 176.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.421 ' C ' ' N ' ' A' ' 25' ' ' ASN . 1.6 mt-30 -45.63 -58.29 3.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.235 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.504 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 1.7 m-20 -46.42 -25.55 0.68 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 2.0 t-20 82.11 43.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.354 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 28' ' ' GLU . 29.1 mt-10 -107.01 98.82 8.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.238 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.41 98.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 26' ' ' GLU . 14.2 tt0 -94.5 169.14 10.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.571 1.169 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.425 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 98.0 m95 -138.57 64.84 38.61 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.454 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 18.4 Cg_endo -74.96 152.37 40.89 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.531 1.806 . . . . 0.0 111.006 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.487 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.6 OUTLIER -69.63 129.28 39.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.513 ' HB1' ' HB ' ' A' ' 48' ' ' VAL . . . -134.8 145.25 48.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.354 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -111.9 137.01 50.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.361 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.523 HD13 HG12 ' A' ' 48' ' ' VAL . 4.7 mm -69.33 136.66 25.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 47.5 mt -116.41 -52.33 2.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.79 144.82 24.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.971 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.763 HG22 ' HD2' ' A' ' 46' ' ' PHE . 88.6 t -108.46 168.09 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.987 ' HE2' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -160.1 -177.56 6.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.148 . . . . 0.0 109.245 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.425 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.4 OUTLIER -158.85 121.04 3.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.987 HD11 ' HE2' ' A' ' 38' ' ' LYS . 80.1 mt -141.09 110.8 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.07 48.98 9.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.934 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 67.28 7.85 47.48 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.686 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -104.34 94.09 5.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 0.756 . . . . 0.0 110.283 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.588 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -70.56 127.35 32.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.4 1.063 . . . . 0.0 109.257 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.686 HD13 ' CD ' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -105.84 152.5 23.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.763 ' HD2' HG22 ' A' ' 37' ' ' VAL . 23.2 m-85 -145.75 119.6 9.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -81.41 91.1 6.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.973 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.639 HG21 HG21 ' A' ' 18' ' ' VAL . 11.9 m -96.0 154.18 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -129.16 115.89 18.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.574 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -59.07 131.11 50.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.487 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -87.64 140.98 28.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 107.973 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.946 HG11 HG11 ' A' ' 18' ' ' VAL . 28.5 m -130.66 -171.61 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.4 p -122.28 170.9 9.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 66' ' ' LEU . 2.0 t-160 -62.31 -46.33 89.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.539 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -48.17 -28.01 2.73 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 110.358 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.745 ' HB3' HG13 ' A' ' 18' ' ' VAL . 3.3 mtt180 -85.18 -28.42 25.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.161 . . . . 0.0 110.305 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.642 HD11 ' CD1' ' A' ' 46' ' ' PHE . 38.4 mt -74.34 115.56 13.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.407 ' C ' ' N ' ' A' ' 69' ' ' LYS . 12.1 t0 -100.89 73.14 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.837 HD22 HD11 ' A' ' 10' ' ' ILE . 3.3 mt -50.81 -21.54 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 67' ' ' ASP . 9.8 mttt -64.52 -10.94 29.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.224 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -134.42 21.84 3.69 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.629 HG13 HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -62.22 156.73 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.535 ' CG ' ' O ' ' A' ' 72' ' ' GLN . 3.3 tt0 -143.31 71.01 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -45.89 151.77 0.83 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 111.029 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.194 0 O-C-N 124.498 1.788 . . . . 0.0 111.051 179.958 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -38.5 -78.21 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 11' ' ' ILE . 4.1 pt-20 -136.18 130.06 32.61 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.469 0.747 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.722 HD11 HD22 ' A' ' 68' ' ' LEU . 10.4 mm -67.63 108.09 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 109.377 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.567 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.7 pp -106.14 169.45 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.491 ' O ' HD12 ' A' ' 11' ' ' ILE . 48.4 mt-10 -73.72 124.79 26.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.33 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.48 -29.6 6.07 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.547 1.154 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.573 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 31.5 m -51.92 136.39 28.64 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.4 mtm105 -114.47 121.29 43.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 0.0 110.305 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.822 HD12 ' H ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.14 156.3 43.41 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.371 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.463 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.4 Cg_endo -74.91 108.34 2.69 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.526 1.803 . . . . 0.0 111.043 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.739 HG21 HG21 ' A' ' 48' ' ' VAL . 54.0 t -91.52 114.54 28.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.1 tp -46.84 129.33 11.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 109.358 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.559 ' HD2' ' CE2' ' A' ' 50' ' ' TYR . 16.5 ttt-85 -147.79 112.19 5.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -85.76 111.26 19.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 25' ' ' ASN . 10.2 p30 -73.23 -179.96 3.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 1.076 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -44.31 -60.5 1.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 110.273 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.506 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 36.0 m-20 -45.62 -27.42 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 24.5 t30 82.05 42.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 28' ' ' GLU . 41.2 mt-10 -105.32 107.06 17.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.432 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 7.6 p-10 -42.59 97.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' GLU . 4.6 tt0 -94.23 166.12 12.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.289 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.441 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.1 m95 -140.34 64.29 24.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.463 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 18.0 Cg_endo -75.11 156.2 42.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.522 1.801 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.524 HD12 HD11 ' A' ' 51' ' ' ILE . 0.4 OUTLIER -71.77 127.76 33.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.61 1.194 . . . . 0.0 109.346 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.636 ' HB1' ' HB ' ' A' ' 48' ' ' VAL . . . -132.82 143.17 49.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.244 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -110.98 133.52 53.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.441 1.088 . . . . 0.0 110.331 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.553 HD13 HG12 ' A' ' 48' ' ' VAL . 2.7 mm -67.72 139.31 21.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.422 HD12 ' CD2' ' A' ' 47' ' ' TYR . 34.9 mt -119.05 -46.43 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.9 144.92 20.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.385 1.053 . . . . 0.0 110.036 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.541 HG12 ' N ' ' A' ' 38' ' ' LYS . 98.7 t -106.75 167.75 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.353 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.604 ' HE2' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -159.69 -178.43 7.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -161.36 124.82 3.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.201 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.69 HD12 HD22 ' A' ' 45' ' ' LEU . 10.0 mt -128.7 77.35 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.68 49.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.989 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.27 -23.48 21.27 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.526 1.141 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.621 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -78.3 86.61 4.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 0.779 . . . . 0.0 110.31 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.589 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -71.2 129.83 39.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.69 HD22 HD12 ' A' ' 40' ' ' ILE . 0.1 OUTLIER -112.44 137.14 51.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.698 ' O ' HG22 ' A' ' 61' ' ' VAL . 8.2 m-85 -130.73 117.28 19.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.422 ' CD2' HD12 ' A' ' 35' ' ' LEU . 7.4 t80 -76.1 90.25 3.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 111.029 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.739 HG21 HG21 ' A' ' 18' ' ' VAL . 21.9 m -95.81 152.89 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -124.92 115.89 21.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.614 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.559 ' CE2' ' HD2' ' A' ' 20' ' ' ARG . 62.7 m-85 -65.17 108.99 2.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.524 HD11 HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -87.67 137.14 32.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 108.012 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.712 HG11 HG11 ' A' ' 18' ' ' VAL . 32.8 m -133.66 175.85 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.437 HG21 ' NH1' ' A' ' 43' ' ' ARG . 67.3 p -106.31 -172.9 2.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 110.446 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.698 ' HA ' HD12 ' A' ' 66' ' ' LEU . 4.4 t-160 -86.1 -23.99 26.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.599 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -60.24 -32.43 71.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 110.292 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.83 -29.61 25.19 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.53 1.144 . . . . 0.0 110.263 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.698 HD12 ' HA ' ' A' ' 63' ' ' HIS . 63.1 mt -64.03 113.27 3.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.246 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.405 ' C ' ' N ' ' A' ' 69' ' ' LYS . 12.1 t0 -99.17 72.12 1.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.722 HD22 HD11 ' A' ' 10' ' ' ILE . 4.0 mt -50.71 -21.88 1.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 67' ' ' ASP . 4.0 mttm -65.39 -10.32 32.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -134.51 24.74 3.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.604 HG13 HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -67.62 160.63 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 73' ' ' PHE . 17.7 mt-30 -147.18 62.75 1.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.586 1.179 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.573 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 26.0 m-85 -37.17 154.56 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.073 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.525 1.803 . . . . 0.0 110.999 -179.955 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.531 1.078 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -37.82 -77.77 0.06 OUTLIER Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.428 ' O ' HG23 ' A' ' 11' ' ' ILE . 3.7 pt-20 -136.27 130.43 33.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.844 HD11 HD22 ' A' ' 68' ' ' LEU . 10.3 mm -69.53 110.37 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.604 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.4 pp -111.26 168.26 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.526 ' O ' HD12 ' A' ' 11' ' ' ILE . 50.7 mt-10 -72.8 124.18 24.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.36 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.36 -26.54 7.32 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.8 m -54.01 138.75 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.5 mtm105 -114.14 122.66 47.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.837 HD12 ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -149.16 153.72 38.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 107.83 2.58 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.525 1.802 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.899 HG21 HG21 ' A' ' 48' ' ' VAL . 55.7 t -89.58 110.53 21.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.102 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.421 HD11 ' OD2' ' A' ' 27' ' ' ASP . 7.2 tp -42.19 130.49 3.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.133 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -140.62 113.96 8.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.242 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 45.1 mtt180 -91.71 98.81 11.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.352 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -58.67 175.26 0.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -50.38 -47.32 56.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.469 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 7.6 m-20 -56.61 -19.77 17.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.469 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 4.2 t-20 80.71 41.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 28' ' ' GLU . 32.2 mt-10 -102.77 99.89 9.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 110.351 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.421 ' OD2' HD11 ' A' ' 19' ' ' LEU . 3.6 m-20 -47.41 95.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' GLU . 17.3 tt0 -95.54 168.35 10.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.418 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 98.8 m95 -135.67 65.27 60.44 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.2 Cg_endo -75.02 143.79 29.41 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.515 1.797 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.473 ' HA ' HD22 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -56.46 135.86 54.16 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.55 1.156 . . . . 0.0 109.252 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.706 ' HB3' HG23 ' A' ' 18' ' ' VAL . . . -138.1 149.56 46.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 7.2 tt0 -124.23 134.39 53.27 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.509 ' O ' HD23 ' A' ' 35' ' ' LEU . 7.0 mm -66.66 138.0 23.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 34' ' ' ILE . 40.6 mt -121.13 -46.44 2.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.599 1.187 . . . . 0.0 109.323 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.14 141.52 19.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.0 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.8 HG22 ' HD1' ' A' ' 46' ' ' PHE . 65.9 t -106.88 167.99 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.754 ' CD ' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -159.42 -178.37 7.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.452 1.095 . . . . 0.0 109.391 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.741 ' O ' HD13 ' A' ' 40' ' ' ILE . 0.3 OUTLIER -157.84 118.37 3.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.754 HD11 ' CD ' ' A' ' 38' ' ' LYS . 25.5 mm -124.71 92.03 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.262 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.84 46.61 11.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.966 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.85 -22.49 28.21 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.504 1.128 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.703 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -78.24 93.84 4.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.397 0.704 . . . . 0.0 110.361 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 1.7 mtmt -76.19 126.22 30.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.703 HD13 ' CD ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -104.94 153.74 21.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.803 ' CD2' HD11 ' A' ' 66' ' ' LEU . 33.8 m-85 -146.94 121.36 9.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.58 1.175 . . . . 0.0 110.991 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -81.71 91.87 6.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 110.966 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.899 HG21 HG21 ' A' ' 18' ' ' VAL . 16.5 m -95.83 141.98 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.412 ' O ' HD13 ' A' ' 51' ' ' ILE . 6.1 t60 -109.21 118.8 37.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.626 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -68.34 76.18 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.412 HD13 ' O ' ' A' ' 49' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.359 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -80.73 150.15 29.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 107.946 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.705 HG11 HG11 ' A' ' 18' ' ' VAL . 4.5 m -144.52 -174.69 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.572 1.17 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.43 HG21 ' NH1' ' A' ' 43' ' ' ARG . 16.1 p -123.7 167.26 14.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.581 1.175 . . . . 0.0 110.406 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.575 ' HA ' HD12 ' A' ' 66' ' ' LEU . 9.3 t-160 -61.29 -16.54 46.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.599 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -64.14 -40.62 96.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.538 1.149 . . . . 0.0 110.346 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.96 -25.9 27.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.257 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.803 HD11 ' CD2' ' A' ' 46' ' ' PHE . 56.2 mt -68.32 110.9 4.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 67' ' ' ASP . 22.5 t0 -98.84 76.0 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.844 HD22 HD11 ' A' ' 10' ' ' ILE . 4.2 mt -54.94 -19.49 6.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.419 1.074 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -69.11 -8.17 42.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -134.44 18.03 3.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 109.256 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.479 HG13 HD23 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -60.23 163.42 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 109.267 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 73' ' ' PHE . 19.6 mt-30 -149.86 63.16 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.263 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.426 ' C ' ' O ' ' A' ' 72' ' ' GLN . 25.7 m-85 -35.89 153.07 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 111.064 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.115 0 O-C-N 124.527 1.804 . . . . 0.0 111.04 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -37.76 -77.64 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.48 ' O ' HG23 ' A' ' 11' ' ' ILE . 4.5 pt-20 -136.58 130.41 32.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 0.758 . . . . 0.0 110.354 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.849 HD11 HD22 ' A' ' 68' ' ' LEU . 7.5 mm -67.37 109.39 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.626 HD12 ' N ' ' A' ' 12' ' ' GLU . 1.7 pp -108.73 176.88 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.626 ' N ' HD12 ' A' ' 11' ' ' ILE . 64.4 mt-10 -80.16 123.18 27.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 110.333 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 117.63 -28.09 7.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.149 . . . . 0.0 111.033 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.56 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 6.1 m -51.72 140.3 19.3 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.485 ' CD ' HD11 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -115.34 120.22 38.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.822 HD12 ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -147.27 152.48 42.88 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 109.265 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.443 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.1 Cg_endo -75.04 111.63 3.37 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.583 1.833 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.941 HG11 HG11 ' A' ' 61' ' ' VAL . 55.6 t -89.53 112.13 23.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.528 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 2.4 tp -43.78 148.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.87 100.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.417 1.073 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.34 143.9 46.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.576 1.172 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -78.76 -179.66 6.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.28 -17.57 8.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.092 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 3.3 m-20 -86.99 -8.84 56.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.248 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 9.6 t30 81.86 26.16 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 28' ' ' GLU . 23.7 mt-10 -92.13 87.63 6.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.469 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 19.2 m-20 -41.88 100.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 26' ' ' GLU . 11.0 tt0 -88.47 168.67 12.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.196 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.528 ' CH2' ' HB2' ' A' ' 19' ' ' LEU . 97.8 m95 -137.58 64.97 46.48 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.443 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.0 152.71 41.1 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.585 1.834 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.485 HD11 ' CD ' ' A' ' 15' ' ' ARG . 0.4 OUTLIER -66.74 132.98 49.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.539 ' HB3' HG23 ' A' ' 18' ' ' VAL . . . -138.14 140.96 40.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 12.2 tt0 -111.76 134.56 53.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.731 ' O ' HD23 ' A' ' 35' ' ' LEU . 2.2 mm -68.41 148.74 11.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.731 HD23 ' O ' ' A' ' 34' ' ' ILE . 37.4 mt -126.93 -47.31 1.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.243 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.22 143.87 16.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.013 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.588 HG22 ' HD2' ' A' ' 46' ' ' PHE . 60.2 t -107.06 168.4 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.941 ' HE3' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -160.16 179.77 8.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.415 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.8 OUTLIER -155.19 122.26 5.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.941 HD11 ' HE3' ' A' ' 38' ' ' LYS . 91.4 mt -143.77 118.26 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 109.365 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 54.44 42.55 31.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.999 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.16 1.93 57.66 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.468 1.105 . . . . 0.0 110.957 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.649 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -98.57 97.62 8.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 110.351 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -72.59 127.22 31.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.649 HD13 ' CD ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -104.61 149.19 25.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.368 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.588 ' HD2' HG22 ' A' ' 37' ' ' VAL . 27.3 m-85 -142.86 113.9 7.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 111.049 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.444 ' CD1' ' CD1' ' A' ' 60' ' ' TRP . 4.7 t80 -77.0 91.22 3.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.098 . . . . 0.0 110.987 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.797 HG21 HG21 ' A' ' 18' ' ' VAL . 11.4 m -95.64 149.51 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.452 ' HB2' HD11 ' A' ' 35' ' ' LEU . 21.6 t60 -116.29 115.46 25.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.658 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -65.38 118.18 9.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.478 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.444 ' CD1' ' CD1' ' A' ' 47' ' ' TYR . 35.7 m95 -76.89 144.16 39.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 107.988 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.941 HG11 HG11 ' A' ' 18' ' ' VAL . 23.5 m -130.69 -172.04 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.2 p -114.78 164.27 14.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.415 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.735 ' HA ' HD12 ' A' ' 66' ' ' LEU . 3.3 t-160 -68.14 -10.03 51.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.602 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -74.95 -38.98 61.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.266 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -78.85 -31.7 45.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.735 HD12 ' HA ' ' A' ' 63' ' ' HIS . 31.3 mt -61.92 102.17 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 67' ' ' ASP . 13.2 t0 -89.3 78.41 7.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.849 HD22 HD11 ' A' ' 10' ' ' ILE . 1.7 mt -56.87 -18.15 12.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -67.55 -9.43 42.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.352 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.1 mttp -134.31 17.97 3.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.626 HG13 HD23 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -59.07 161.6 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.583 1.177 . . . . 0.0 109.26 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 73' ' ' PHE . 18.7 mt-30 -148.62 62.95 1.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.56 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 26.5 m-85 -36.58 153.35 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.521 1.8 . . . . 0.0 111.073 179.941 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -40.21 -79.83 0.04 OUTLIER Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.444 ' O ' HG23 ' A' ' 11' ' ' ILE . 3.4 pt-20 -137.25 131.48 32.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 0.72 . . . . 0.0 110.27 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.547 HD11 HD22 ' A' ' 68' ' ' LEU . 8.1 mm -67.85 108.57 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.515 HD12 ' O ' ' A' ' 12' ' ' GLU . 1.9 pp -108.72 172.03 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.515 ' O ' HD12 ' A' ' 11' ' ' ILE . 63.6 mt-10 -74.41 123.29 24.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.48 -34.28 4.32 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.517 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 17.8 m -47.87 139.82 7.3 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -116.45 120.86 40.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.347 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.829 HD12 ' H ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -146.96 154.41 46.88 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 110.51 3.13 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.52 1.8 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.778 HG11 HG11 ' A' ' 61' ' ' VAL . 52.5 t -91.41 113.6 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.6 tp -43.0 143.08 0.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.2 ttt85 -156.32 114.36 3.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -94.38 109.71 21.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.285 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -68.14 178.2 1.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -52.98 -45.72 67.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.142 . . . . 0.0 110.336 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 33.4 m-20 -59.87 -18.09 41.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 9.3 m-20 80.06 53.58 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -112.52 112.81 24.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.433 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 15.1 p-10 -59.28 93.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -89.83 166.81 13.3 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.42 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.0 m95 -140.91 65.23 23.03 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.2 Cg_endo -75.06 150.94 38.62 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.488 1.783 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.469 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -68.66 128.74 37.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.566 ' HB1' ' HB ' ' A' ' 48' ' ' VAL . . . -133.54 146.71 51.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -113.87 135.18 54.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 110.312 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.454 ' O ' HD23 ' A' ' 35' ' ' LEU . 4.8 mm -66.56 144.47 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 34' ' ' ILE . 57.4 mt -123.96 -53.73 1.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.81 143.26 24.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.989 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.813 HG22 ' HD2' ' A' ' 46' ' ' PHE . 97.7 t -106.17 168.05 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.545 ' N ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -158.38 -178.51 7.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.267 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -160.83 122.41 3.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.692 HD12 HD22 ' A' ' 45' ' ' LEU . 8.4 mt -126.55 74.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.238 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.45 52.18 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.975 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.94 -26.02 10.67 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.613 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -77.0 85.97 3.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 0.774 . . . . 0.0 110.342 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 2.6 mtmt -72.98 126.31 29.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.692 HD22 HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -107.26 150.22 26.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.813 ' HD2' HG22 ' A' ' 37' ' ' VAL . 16.9 m-85 -143.15 126.7 16.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.133 . . . . 0.0 111.033 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -87.61 92.62 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.412 1.07 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.736 HG21 HG21 ' A' ' 18' ' ' VAL . 26.8 m -95.72 154.76 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -129.09 115.74 18.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.628 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -59.35 125.64 24.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 111.073 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.469 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -74.15 155.74 38.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 107.989 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.778 HG11 HG11 ' A' ' 18' ' ' VAL . 21.4 m -149.33 176.93 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.5 p -108.71 171.27 7.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 110.378 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.669 ' HA ' HD12 ' A' ' 66' ' ' LEU . 5.8 t-160 -69.9 -23.41 63.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 109.638 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -62.64 -35.04 78.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 0.0 110.33 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.429 ' HB3' HG13 ' A' ' 18' ' ' VAL . 0.5 OUTLIER -79.97 -32.32 39.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.716 ' HB3' HD22 ' A' ' 16' ' ' LEU . 27.8 mt -66.0 121.53 15.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -107.86 77.58 1.13 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.437 1.086 . . . . 0.0 109.273 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.783 ' N ' HD23 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -55.04 -18.24 4.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.392 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -63.82 -11.56 28.24 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.01 10.51 3.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.503 HD11 ' CD1' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -45.56 167.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.434 ' N ' HG23 ' A' ' 71' ' ' ILE . 27.9 mt-30 -154.72 63.96 0.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 110.288 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.517 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 31.7 m-85 -41.51 153.46 0.26 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.187 0 O-C-N 124.479 1.779 . . . . 0.0 110.951 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.47 -71.56 1.82 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -138.2 125.13 21.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 110.345 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.949 HD11 HD22 ' A' ' 68' ' ' LEU . 13.3 mm -78.11 115.56 20.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.413 1.07 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.592 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.4 pp -115.9 168.36 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.561 ' O ' HD12 ' A' ' 11' ' ' ILE . 63.5 mt-10 -72.32 123.92 24.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 117.97 -23.59 9.27 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.2 m -56.42 138.47 51.23 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.2 mtm105 -114.44 121.13 42.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.322 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.83 HD12 ' H ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.61 155.47 41.75 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 107.37 2.47 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.527 1.804 . . . . 0.0 111.034 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.745 HG11 HG11 ' A' ' 61' ' ' VAL . 76.4 t -89.77 110.16 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 tp -42.88 139.55 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -154.43 114.69 3.88 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.425 1.078 . . . . 0.0 110.258 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 27' ' ' ASP . 24.5 mtt-85 -92.43 103.22 15.67 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.466 1.104 . . . . 0.0 110.266 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -65.27 178.68 0.86 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -50.67 -46.52 58.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.252 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 70.2 m-20 -54.53 -23.4 16.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.479 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 4.4 t30 80.5 40.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 28' ' ' GLU . 38.0 mt-10 -106.03 108.31 19.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.326 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.446 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 7.8 p-10 -48.52 95.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 26' ' ' GLU . 6.9 tt0 -91.81 163.64 13.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.427 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 96.1 m95 -137.32 64.91 48.16 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 108.032 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -74.95 140.68 25.89 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.565 1.824 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.47 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -57.42 127.78 33.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.721 ' HB3' HG23 ' A' ' 18' ' ' VAL . . . -131.64 145.39 51.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.095 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -114.37 134.51 54.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.481 HD13 HG12 ' A' ' 48' ' ' VAL . 6.3 mm -67.76 135.53 28.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.472 HD12 ' CD2' ' A' ' 47' ' ' TYR . 34.9 mt -115.6 -48.95 2.75 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.596 1.185 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.82 150.85 30.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 110.003 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.774 HG22 ' HD2' ' A' ' 46' ' ' PHE . 89.3 t -114.78 167.95 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.543 ' N ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -159.19 -176.81 6.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -163.48 124.36 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.681 HD12 HD22 ' A' ' 45' ' ' LEU . 6.9 mt -127.43 74.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 72.34 46.89 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.013 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.49 -26.36 20.18 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.533 1.145 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.617 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -76.32 85.6 3.1 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.521 0.777 . . . . 0.0 110.301 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.584 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -71.81 128.05 34.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.681 HD22 HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -109.87 139.1 45.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.774 ' HD2' HG22 ' A' ' 37' ' ' VAL . 21.7 m-85 -132.83 124.06 27.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 0.0 110.975 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.472 ' CD2' HD12 ' A' ' 35' ' ' LEU . 11.4 t80 -84.34 95.82 8.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.704 HG21 HG21 ' A' ' 18' ' ' VAL . 32.4 m -97.85 154.26 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -129.04 116.44 19.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 109.547 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -60.96 113.73 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 111.043 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.47 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -86.63 144.71 27.03 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.745 HG11 HG11 ' A' ' 18' ' ' VAL . 32.9 m -138.82 -174.48 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 51.6 p -119.74 176.72 5.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.435 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.645 ' HA ' HD12 ' A' ' 66' ' ' LEU . 19.2 t-160 -73.35 -15.55 61.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.59 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -65.69 -42.46 91.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.259 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.97 -20.72 37.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' ' 63' ' ' HIS . 77.1 mt -72.8 102.39 3.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 67' ' ' ASP . 21.7 t0 -91.54 75.27 5.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.219 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.949 HD22 HD11 ' A' ' 10' ' ' ILE . 3.8 mt -54.53 -19.64 6.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -68.31 -8.33 38.77 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.7 mttp -134.14 19.04 3.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.347 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.507 HG13 HD23 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -62.6 163.6 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 73' ' ' PHE . 20.4 mt-30 -149.73 63.37 1.0 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 72' ' ' GLN . 25.5 m-85 -36.15 153.41 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 111.063 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.177 0 O-C-N 124.551 1.817 . . . . 0.0 110.992 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -40.6 -75.84 0.11 Allowed Glycine 0 CA--C 1.529 0.944 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.423 ' O ' HG23 ' A' ' 11' ' ' ILE . 4.1 pt-20 -136.32 130.22 32.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 0.737 . . . . 0.0 110.338 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.858 HD11 HD22 ' A' ' 68' ' ' LEU . 10.4 mm -69.11 109.14 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.612 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.5 pp -108.57 168.97 3.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.513 ' O ' HD12 ' A' ' 11' ' ' ILE . 45.0 mt-10 -74.0 126.57 30.78 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.56 -28.23 7.57 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.448 1.092 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.584 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 13.2 m -52.48 138.43 27.63 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.9 mtm105 -112.69 121.59 45.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.821 HD12 ' H ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.68 153.24 39.2 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 107.4 2.47 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.487 1.783 . . . . 0.0 111.037 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.826 HG21 HG11 ' A' ' 48' ' ' VAL . 51.6 t -91.19 116.48 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.9 tp -42.81 152.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -165.79 101.63 0.68 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.1 mtt85 -87.23 105.41 17.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.452 1.095 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -67.48 178.76 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -49.49 -52.45 29.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 110.247 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.483 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 49.6 m-20 -51.95 -23.13 4.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.452 1.095 . . . . 0.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 26.9 t30 81.32 48.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 28' ' ' GLU . 31.4 mt-10 -107.88 107.97 18.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.438 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 7.4 p-10 -53.72 93.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 26' ' ' GLU . 6.5 tt0 -92.43 163.11 13.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.424 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 96.4 m95 -137.17 65.04 49.77 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 108.022 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.424 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -75.01 148.54 35.38 Favored 'Trans proline' 0 C--N 1.358 1.07 0 O-C-N 124.493 1.786 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.545 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -59.64 129.89 44.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.768 ' HB1' ' HB ' ' A' ' 48' ' ' VAL . . . -136.04 136.2 40.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.077 . . . . 0.0 109.31 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -109.76 134.12 52.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.117 . . . . 0.0 110.234 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.5 mm -65.31 135.62 28.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 48.1 mt -115.33 -49.81 2.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.26 148.16 26.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.986 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.662 HG22 ' HD2' ' A' ' 46' ' ' PHE . 90.0 t -110.34 167.57 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.533 ' N ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -159.26 -178.96 7.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.206 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -161.22 124.92 3.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.085 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.704 HD12 HD22 ' A' ' 45' ' ' LEU . 12.3 mt -128.83 72.19 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.8 52.51 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.99 -24.23 14.05 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.135 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.616 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -79.33 86.33 5.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 110.293 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 2.8 mtmt -72.9 128.55 35.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.704 HD22 HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -110.21 142.28 41.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.662 ' HD2' HG22 ' A' ' 37' ' ' VAL . 13.4 m-85 -135.76 127.28 28.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -87.27 97.6 10.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.45 1.094 . . . . 0.0 111.038 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.826 HG11 HG21 ' A' ' 18' ' ' VAL . 31.4 m -97.44 164.25 2.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.433 ' O ' HD13 ' A' ' 51' ' ' ILE . 9.2 t60 -136.68 115.99 12.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.665 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -65.86 73.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 111.056 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.545 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.551 0 O-C-N 124.525 1.141 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.446 ' CE3' ' HB3' ' A' ' 45' ' ' LEU . 85.3 m95 -75.46 158.84 32.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 108.018 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.713 HG11 HG11 ' A' ' 18' ' ' VAL . 34.2 m -148.58 -171.65 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.6 p -123.53 167.8 13.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.423 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.686 ' HA ' HD12 ' A' ' 66' ' ' LEU . 4.2 t60 -61.49 -35.68 78.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.182 . . . . 0.0 109.623 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -50.66 -39.22 50.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.24 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 35.1 mtt85 -78.53 -31.71 47.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.687 HD23 HG22 ' A' ' 18' ' ' VAL . 25.3 mt -68.43 111.42 4.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.373 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.404 ' C ' ' N ' ' A' ' 69' ' ' LYS . 19.2 t0 -96.25 73.41 2.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.858 HD22 HD11 ' A' ' 10' ' ' ILE . 2.9 mt -50.71 -22.18 1.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 67' ' ' ASP . 13.7 mttt -64.75 -10.88 30.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -131.34 14.19 5.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.544 HG13 HD23 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -54.78 165.72 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 73' ' ' PHE . 25.1 mt-30 -154.08 61.94 0.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.584 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 31.0 m-85 -37.2 152.77 0.11 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.398 1.061 . . . . 0.0 110.98 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.472 1.775 . . . . 0.0 111.012 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 98.16 -74.83 0.59 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -138.23 126.16 22.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 0.77 . . . . 0.0 110.32 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.897 HD11 HD22 ' A' ' 68' ' ' LEU . 13.2 mm -77.21 114.31 17.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 109.185 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.64 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.3 pp -116.31 169.14 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.579 ' N ' HD12 ' A' ' 11' ' ' ILE . 76.3 mt-10 -73.19 123.44 23.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.41 -27.64 6.86 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.412 1.07 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.532 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 19.6 m -54.28 137.32 41.68 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.7 mtm105 -113.24 121.69 45.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.832 HD12 ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -149.11 154.53 39.44 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.27 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 113.92 3.9 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.478 1.778 . . . . 0.0 110.947 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.905 HG21 HG21 ' A' ' 48' ' ' VAL . 69.5 t -94.9 111.05 24.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.42 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 0.6 OUTLIER -57.26 133.71 55.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.556 ' HD3' ' CD1' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -157.29 72.44 0.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.336 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 20' ' ' ARG . 88.1 mtt180 -37.28 138.09 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 25' ' ' ASN . 7.0 p30 -99.42 179.79 4.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.434 ' C ' ' N ' ' A' ' 25' ' ' ASN . 2.2 tt0 -43.55 -62.8 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 110.31 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.49 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 92.1 m-20 -43.3 -27.82 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 4.5 t30 81.6 44.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -110.88 102.3 10.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 110.243 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 5.8 p-10 -40.39 104.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -96.82 172.8 7.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.429 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 98.0 m95 -149.2 64.7 7.56 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 107.995 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.429 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -74.99 146.04 32.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.445 1.761 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.662 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -61.24 131.04 49.13 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.574 1.171 . . . . 0.0 109.348 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.753 ' HB3' HG23 ' A' ' 18' ' ' VAL . . . -135.96 145.37 46.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -116.66 134.96 54.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.459 HD13 HG12 ' A' ' 48' ' ' VAL . 5.0 mm -67.67 138.79 22.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.432 HD12 ' CD2' ' A' ' 47' ' ' TYR . 47.5 mt -118.5 -46.41 2.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.72 147.97 23.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.598 HG22 ' HD2' ' A' ' 46' ' ' PHE . 64.1 t -110.5 168.46 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.963 ' HE3' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -162.35 -176.7 5.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.408 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.8 OUTLIER -161.33 122.39 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.963 HD11 ' HE3' ' A' ' 38' ' ' LYS . 83.2 mt -140.11 107.1 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.11 54.26 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.006 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 64.11 10.48 40.72 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.429 1.081 . . . . 0.0 111.017 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.737 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -107.98 101.22 10.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.52 0.776 . . . . 0.0 110.327 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.588 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -77.81 130.16 36.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.354 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.737 HD13 ' CD ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -107.39 153.12 23.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.643 ' O ' HG22 ' A' ' 61' ' ' VAL . 26.7 m-85 -147.04 116.33 6.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.952 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.432 ' CD2' HD12 ' A' ' 35' ' ' LEU . 9.9 t80 -79.44 94.18 5.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.976 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.905 HG21 HG21 ' A' ' 18' ' ' VAL . 18.7 m -96.62 158.32 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.412 1.07 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -127.93 118.21 23.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.626 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.556 ' CD1' ' HD3' ' A' ' 20' ' ' ARG . 46.0 m-85 -65.6 96.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.662 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.439 ' CE3' ' HB3' ' A' ' 45' ' ' LEU . 92.8 m95 -81.08 143.68 32.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 107.946 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.788 HG11 HG11 ' A' ' 18' ' ' VAL . 34.8 m -138.93 177.65 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 53.2 p -110.14 176.83 4.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.349 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.645 ' HA ' HD12 ' A' ' 66' ' ' LEU . 4.7 t-160 -74.89 -19.01 60.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 109.644 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -61.91 -38.9 90.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 110.352 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -84.78 -22.41 29.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' ' 63' ' ' HIS . 76.5 mt -71.27 98.11 1.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 67' ' ' ASP . 19.4 t0 -85.55 75.59 10.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.897 HD22 HD11 ' A' ' 10' ' ' ILE . 4.1 mt -55.01 -18.98 5.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.237 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -68.64 -8.03 38.51 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -133.39 17.42 4.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.49 HG13 HD23 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -59.35 161.95 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 73' ' ' PHE . 7.0 mt-30 -149.1 61.77 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.532 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 28.2 m-85 -36.01 153.35 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.169 . . . . 0.0 111.031 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.194 0 O-C-N 124.5 1.79 . . . . 0.0 111.025 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -38.96 -76.84 0.07 OUTLIER Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -135.89 130.07 33.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 0.0 110.292 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.79 HD11 HD22 ' A' ' 68' ' ' LEU . 10.7 mm -70.59 108.39 2.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.746 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.4 pp -108.52 166.75 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.404 ' N ' HD12 ' A' ' 11' ' ' ILE . 59.9 mt-10 -70.83 124.51 24.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.43 -29.4 5.7 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.547 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 18.9 m -52.86 137.63 31.65 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -114.67 120.73 41.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.826 HD12 ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -149.46 155.71 39.2 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.1 Cg_endo -75.02 118.18 5.17 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.541 1.811 . . . . 0.0 110.992 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 1.064 HG21 HG21 ' A' ' 48' ' ' VAL . 70.2 t -97.01 107.63 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 18' ' ' VAL . 9.8 tp -39.83 151.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.402 1.064 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.424 ' NH1' ' HA ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -169.87 111.45 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.219 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.7 mtt85 -88.81 101.57 14.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.409 1.068 . . . . 0.0 110.312 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 25' ' ' ASN . 22.8 m-80 -59.79 179.56 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -50.95 -44.25 60.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.357 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 5.9 m-20 -60.14 -21.01 61.09 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.51 1.132 . . . . 0.0 109.315 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.462 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 1.5 t-20 79.53 40.34 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -103.22 104.53 14.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.44 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 5.0 p-10 -47.3 102.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -96.27 171.52 8.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.266 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.426 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.5 m95 -146.49 64.68 9.73 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 107.991 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.467 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -74.95 147.53 34.28 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.476 1.777 . . . . 0.0 111.03 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.454 ' HA ' HD22 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -65.86 133.77 51.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.08 . . . . 0.0 109.283 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.581 ' HB3' HG23 ' A' ' 18' ' ' VAL . . . -138.31 149.41 45.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.366 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -117.63 131.42 56.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 110.309 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.762 HD13 HG12 ' A' ' 48' ' ' VAL . 4.7 mm -65.83 136.55 26.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.363 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 39.2 mt -117.73 -43.34 2.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.88 147.88 18.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.037 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.622 HG22 ' HD2' ' A' ' 46' ' ' PHE . 66.1 t -110.34 168.93 3.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.607 1.192 . . . . 0.0 109.227 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.56 ' N ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -159.43 -178.23 6.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -162.82 124.05 2.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.464 1.102 . . . . 0.0 109.362 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.646 HD12 HD22 ' A' ' 45' ' ' LEU . 6.1 mt -127.5 77.14 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.32 43.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.974 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.38 -29.54 11.7 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.526 1.141 . . . . 0.0 110.958 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.575 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -72.59 85.58 1.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.595 0.821 . . . . 0.0 110.316 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -72.6 125.49 27.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.646 HD22 HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -108.69 141.34 40.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.622 ' HD2' HG22 ' A' ' 37' ' ' VAL . 14.7 m-85 -134.31 121.04 20.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -80.36 88.32 5.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.936 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.064 HG21 HG21 ' A' ' 18' ' ' VAL . 14.5 m -95.49 138.19 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.385 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -110.15 115.74 30.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.621 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -60.22 133.94 56.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.573 1.171 . . . . 0.0 111.002 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 90.3 m95 -74.17 141.52 45.52 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.521 1.138 . . . . 0.0 107.945 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.752 HG11 HG11 ' A' ' 18' ' ' VAL . 6.1 m -143.05 168.57 13.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.57 1.169 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.9 p -96.26 -159.05 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.413 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.637 ' HA ' HD12 ' A' ' 66' ' ' LEU . 6.2 t-160 -100.14 -11.05 20.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.623 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -70.01 -34.13 72.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.302 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -85.1 -27.46 26.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 110.26 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' A' ' 63' ' ' HIS . 74.4 mt -65.23 112.38 3.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.402 ' C ' ' N ' ' A' ' 69' ' ' LYS . 8.8 t0 -100.03 73.35 1.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.348 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.79 HD22 HD11 ' A' ' 10' ' ' ILE . 3.9 mt -51.44 -21.37 2.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 67' ' ' ASP . 2.5 mttt -66.76 -9.64 38.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.592 1.182 . . . . 0.0 109.257 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -133.59 21.62 3.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.585 HG13 HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -65.19 167.14 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' PHE . 37.1 mt-30 -154.31 61.87 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.286 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.547 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 29.2 m-85 -36.5 152.58 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.103 0 O-C-N 124.505 1.792 . . . . 0.0 110.99 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -37.71 -77.95 0.05 OUTLIER Glycine 0 CA--C 1.531 1.077 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 11' ' ' ILE . 4.2 pt-20 -136.47 131.3 33.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 0.796 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.684 HD11 HD22 ' A' ' 68' ' ' LEU . 8.2 mm -67.21 103.66 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.25 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.499 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.9 pp -99.6 170.06 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.456 ' O ' HD12 ' A' ' 11' ' ' ILE . 47.3 mt-10 -75.52 123.14 24.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.583 1.177 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.06 -33.73 4.28 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.565 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 17.6 m -47.17 139.66 5.85 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.7 mtm105 -115.98 121.31 41.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.824 HD12 ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -147.4 155.44 46.0 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.459 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.3 Cg_endo -74.98 107.85 2.58 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.452 1.764 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.686 HG11 HG21 ' A' ' 48' ' ' VAL . 56.6 t -92.08 117.19 34.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.507 HD11 ' OD1' ' A' ' 27' ' ' ASP . 14.8 tp -43.07 130.6 4.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.343 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.0 ttt-85 -145.74 96.63 2.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.25 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.9 mtm-85 -59.26 164.02 3.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.575 1.172 . . . . 0.0 110.248 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -120.97 179.9 4.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -61.92 -16.77 53.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.49 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 2.1 m-20 -99.48 -8.07 25.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 2.2 t-20 80.83 30.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 28' ' ' GLU . 8.4 mt-10 -85.83 100.89 12.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.507 ' OD1' HD11 ' A' ' 19' ' ' LEU . 4.1 m-20 -52.31 92.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' GLU . 13.4 tt0 -86.23 169.23 13.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.363 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.403 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 95.8 m95 -140.86 66.08 25.42 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 107.984 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.459 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.03 154.73 42.57 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.577 1.83 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.481 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.6 OUTLIER -67.48 127.87 34.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.335 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.604 ' HB3' HG23 ' A' ' 18' ' ' VAL . . . -132.17 142.94 49.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -113.03 140.65 47.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.348 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.497 ' O ' HD23 ' A' ' 35' ' ' LEU . 3.3 mm -73.04 143.68 13.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.497 HD23 ' O ' ' A' ' 34' ' ' ILE . 35.8 mt -124.46 -49.38 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.57 144.05 21.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.072 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.813 HG22 ' HD2' ' A' ' 46' ' ' PHE . 86.3 t -106.78 168.16 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.613 1.196 . . . . 0.0 109.294 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.547 ' N ' HG12 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -157.61 -178.31 7.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.243 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -161.03 124.28 3.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.692 HD12 HD22 ' A' ' 45' ' ' LEU . 15.9 mt -129.11 73.23 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 72.34 50.41 0.2 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.458 1.099 . . . . 0.0 110.041 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.84 -26.67 11.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.458 1.098 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.568 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -75.91 82.53 2.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 110.327 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 2.7 mtmt -70.73 123.61 22.32 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.692 HD22 HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -104.86 151.27 24.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.813 ' HD2' HG22 ' A' ' 37' ' ' VAL . 20.6 m-85 -143.75 123.67 13.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -81.67 93.97 6.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.173 . . . . 0.0 110.957 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.686 HG21 HG11 ' A' ' 18' ' ' VAL . 18.7 m -95.79 152.66 3.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -129.19 115.95 18.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.588 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -60.83 124.47 20.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.481 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -77.11 147.46 36.6 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.624 HG11 HG11 ' A' ' 18' ' ' VAL . 3.5 m -139.03 177.47 4.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.237 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 27.9 p -106.51 -159.72 0.71 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.513 1.133 . . . . 0.0 110.453 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.763 ' HA ' HD12 ' A' ' 66' ' ' LEU . 4.0 t-160 -97.78 -8.78 27.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.612 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -77.25 -36.16 54.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 110.241 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.8 mtt85 -75.76 -28.53 58.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.763 HD12 ' HA ' ' A' ' 63' ' ' HIS . 20.3 mt -67.59 129.41 39.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.413 ' C ' ' N ' ' A' ' 69' ' ' LYS . 10.2 t0 -114.71 72.45 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.684 HD22 HD11 ' A' ' 10' ' ' ILE . 1.5 mt -50.72 -21.16 1.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.241 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.413 ' N ' ' C ' ' A' ' 67' ' ' ASP . 12.5 mttt -62.82 -11.75 20.03 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -133.95 12.33 3.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.459 HG23 ' N ' ' A' ' 72' ' ' GLN . 0.3 OUTLIER -47.94 168.54 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.459 ' N ' HG23 ' A' ' 71' ' ' ILE . 4.0 mt-30 -155.43 61.04 0.62 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.565 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 31.8 m-85 -38.37 155.21 0.12 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.176 0 O-C-N 124.536 1.809 . . . . 0.0 111.022 -179.983 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -37.87 -72.57 0.17 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -138.31 131.81 30.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 0.762 . . . . 0.0 110.312 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.708 HD11 HD22 ' A' ' 68' ' ' LEU . 11.9 mm -69.77 107.01 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.604 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.6 pp -106.4 168.54 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.406 1.066 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.459 ' N ' HD12 ' A' ' 11' ' ' ILE . 49.9 mt-10 -72.51 123.94 24.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.17 -29.26 6.03 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.523 1.139 . . . . 0.0 111.043 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.416 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 33.0 m -51.78 134.96 30.29 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.458 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 4.1 mtt180 -113.51 123.01 48.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.842 HD12 ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -149.17 154.06 38.67 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.196 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 110.37 3.1 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.453 1.765 . . . . 0.0 110.973 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.671 HG11 HG11 ' A' ' 61' ' ' VAL . 72.0 t -90.25 144.14 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.601 HD11 ' OD2' ' A' ' 27' ' ' ASP . 14.2 tp -70.74 145.47 50.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -161.76 105.55 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.232 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 26.8 mtt180 -90.04 105.52 17.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.288 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -66.39 178.52 1.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -40.17 61.49 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.459 1.1 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 4.2 m-20 -62.61 -18.07 61.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.163 . . . . 0.0 109.348 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 6.8 t30 81.82 26.85 0.18 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.411 1.069 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 28' ' ' GLU . 29.6 mt-10 -92.28 100.34 12.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.266 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.601 ' OD2' HD11 ' A' ' 19' ' ' LEU . 1.1 m-20 -46.81 95.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 26' ' ' GLU . 36.1 tt0 -87.55 152.74 21.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.601 1.188 . . . . 0.0 110.257 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.427 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 62.6 m95 -134.5 64.8 65.59 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 108.024 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -74.95 135.1 18.73 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.47 1.774 . . . . 0.0 111.066 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.458 ' CD1' ' HD3' ' A' ' 15' ' ' ARG . 0.8 OUTLIER -49.81 125.31 11.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.464 ' HB1' ' HB ' ' A' ' 48' ' ' VAL . . . -128.91 158.11 39.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -127.03 135.37 50.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.486 ' O ' HD23 ' A' ' 35' ' ' LEU . 3.0 mm -67.94 142.24 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.352 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.486 HD23 ' O ' ' A' ' 34' ' ' ILE . 28.8 mt -124.39 -47.65 1.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.7 146.64 26.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.956 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.54 HG12 ' N ' ' A' ' 38' ' ' LYS . 59.6 t -111.66 167.78 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.957 ' HE3' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -161.24 179.52 8.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.405 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.8 OUTLIER -156.35 122.25 4.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.253 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.957 HD11 ' HE3' ' A' ' 38' ' ' LYS . 88.7 mt -143.71 116.53 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 55.17 47.59 21.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.19 6.71 48.27 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.454 1.096 . . . . 0.0 110.951 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.662 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -104.18 101.38 11.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 0.785 . . . . 0.0 110.324 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.582 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -76.4 127.12 32.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.662 HD13 ' CD ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -105.22 145.86 30.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.378 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.582 ' CZ ' ' HB3' ' A' ' 44' ' ' LYS . 27.8 m-85 -139.6 121.55 15.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -80.82 91.53 5.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.665 HG21 HG21 ' A' ' 18' ' ' VAL . 14.8 m -96.26 155.36 3.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.423 ' HB2' HD11 ' A' ' 35' ' ' LEU . 33.9 t60 -113.85 115.13 27.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 0.0 109.592 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -63.16 88.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 111.028 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.2 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.231 -179.963 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 64.4 m95 -83.05 148.15 27.71 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.671 HG11 HG11 ' A' ' 18' ' ' VAL . 29.2 m -136.94 -173.81 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.221 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 35.6 p -119.04 174.53 6.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 110.421 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.66 ' HA ' HD12 ' A' ' 66' ' ' LEU . 2.2 t-160 -68.6 -43.7 75.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.606 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.97 -32.59 6.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.0 mtt85 -82.18 -28.24 32.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 63' ' ' HIS . 50.1 mt -70.62 123.79 22.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -106.45 74.03 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.708 HD22 HD11 ' A' ' 10' ' ' ILE . 3.2 mt -53.39 -20.52 4.63 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -67.31 -9.46 41.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -135.78 25.35 3.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.547 HG13 HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -68.36 159.9 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 73' ' ' PHE . 32.8 mt-30 -145.01 63.78 1.29 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.416 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 23.7 m-85 -37.44 154.01 0.11 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.538 1.809 . . . . 0.0 110.97 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -37.65 -78.94 0.04 OUTLIER Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.424 ' O ' HG23 ' A' ' 11' ' ' ILE . 4.2 pt-20 -137.22 132.07 33.33 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.544 0.79 . . . . 0.0 110.333 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.733 HD11 HD22 ' A' ' 68' ' ' LEU . 9.0 mm -68.82 108.64 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.604 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.5 pp -108.13 168.2 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.371 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.469 ' N ' HD12 ' A' ' 11' ' ' ILE . 77.5 mt-10 -72.36 123.77 23.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.97 -30.03 5.81 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.424 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 20.0 m -49.89 136.19 18.62 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.4 mtm105 -114.13 120.23 39.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.143 . . . . 0.0 110.368 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.826 HD12 ' H ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -147.35 154.27 45.31 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 106.5 2.29 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.541 1.811 . . . . 0.0 110.981 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.791 HG11 HG11 ' A' ' 61' ' ' VAL . 52.5 t -89.59 113.03 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.4 tp -41.43 136.99 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -143.56 105.39 4.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -89.29 95.93 10.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' A' ' 25' ' ' ASN . 17.1 m-80 -60.74 176.59 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.42 -46.75 47.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.339 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.475 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 16.9 m-20 -57.65 -20.8 35.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 2.5 t-20 80.51 38.17 0.09 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.522 1.139 . . . . 0.0 109.354 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 28' ' ' GLU . 31.9 mt-10 -96.23 104.14 16.08 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.444 1.09 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -53.02 91.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 0.0 109.364 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' GLU . 28.4 tt0 -92.09 168.66 11.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.418 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 99.2 m95 -136.92 64.87 50.94 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 107.949 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.1 Cg_endo -75.02 144.34 30.06 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.416 1.745 . . . . 0.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.51 ' HA ' HD22 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -60.39 133.92 56.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.274 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.681 ' HB1' ' HB ' ' A' ' 48' ' ' VAL . . . -136.51 144.22 44.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -117.06 130.16 56.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.262 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.449 ' O ' HD23 ' A' ' 35' ' ' LEU . 4.4 mm -64.28 138.2 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.449 HD23 ' O ' ' A' ' 34' ' ' ILE . 35.3 mt -119.75 -45.63 2.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.29 146.53 21.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.007 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.788 HG22 ' HD2' ' A' ' 46' ' ' PHE . 87.0 t -108.05 168.01 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.544 ' N ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -159.82 -175.85 5.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.17 . . . . 0.0 109.266 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -163.99 121.86 1.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.709 ' CD1' HD22 ' A' ' 45' ' ' LEU . 3.6 mt -124.65 77.06 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.4 49.88 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.416 1.073 . . . . 0.0 110.062 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.44 -22.02 32.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.599 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -79.93 87.3 5.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 0.786 . . . . 0.0 110.303 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.59 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -72.53 126.05 28.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.709 HD22 ' CD1' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -109.14 139.54 43.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.788 ' HD2' HG22 ' A' ' 37' ' ' VAL . 20.8 m-85 -132.87 115.65 15.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.943 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -75.45 99.16 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 111.053 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.681 ' HB ' ' HB1' ' A' ' 32' ' ' ALA . 10.0 m -99.97 165.7 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.439 ' O ' HD13 ' A' ' 51' ' ' ILE . 86.3 t60 -131.28 115.83 16.81 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.574 1.171 . . . . 0.0 109.636 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -69.57 73.96 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 111.054 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.496 HD11 HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.226 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 90.0 m95 -79.11 152.54 30.73 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.791 HG11 HG11 ' A' ' 18' ' ' VAL . 15.9 m -146.07 -177.77 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.077 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 73.4 p -117.87 178.16 4.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 110.361 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.629 ' HA ' HD12 ' A' ' 66' ' ' LEU . 5.9 t-160 -74.56 -26.18 59.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.598 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -58.35 -36.12 72.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.417 1.073 . . . . 0.0 110.272 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.423 ' NH1' ' HA ' ' A' ' 61' ' ' VAL . 0.7 OUTLIER -85.78 -23.04 27.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.29 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 63' ' ' HIS . 73.5 mt -70.71 108.54 4.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 67' ' ' ASP . 19.9 t0 -97.43 76.96 2.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.733 HD22 HD11 ' A' ' 10' ' ' ILE . 2.8 mt -56.71 -18.1 11.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -68.45 -8.8 43.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -135.16 18.64 3.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.527 HG13 HD23 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -59.78 169.17 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.435 ' N ' HG23 ' A' ' 71' ' ' ILE . 9.0 mt-30 -155.36 61.95 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.424 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 30.5 m-85 -36.46 153.21 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.185 0 O-C-N 124.498 1.788 . . . . 0.0 111.03 179.95 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -37.78 -76.75 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.051 -0.819 . . . . 0.0 111.051 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.415 ' O ' HG23 ' A' ' 11' ' ' ILE . 3.4 pt-20 -137.01 130.63 31.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.776 HD11 HD22 ' A' ' 68' ' ' LEU . 11.9 mm -70.08 106.28 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.597 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.5 pp -103.78 167.47 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.376 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.491 ' O ' HD12 ' A' ' 11' ' ' ILE . 78.4 mt-10 -72.47 123.67 23.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.258 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.41 -28.66 5.94 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.507 1.13 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.588 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 21.0 m -52.65 137.47 30.79 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -114.37 120.72 41.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.266 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.828 HD12 ' H ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.59 155.83 41.86 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.1 Cg_endo -75.0 107.88 2.59 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.546 1.814 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.776 HG11 HG11 ' A' ' 61' ' ' VAL . 50.8 t -89.84 112.56 24.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.517 1.135 . . . . 0.0 109.343 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 18' ' ' VAL . 8.4 tp -39.92 150.02 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -164.93 107.27 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 72.8 mtt-85 -89.77 102.76 15.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -57.35 173.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -57.51 -17.27 12.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.328 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 13.6 m-20 -81.04 -16.64 52.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.237 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 14.6 t-20 81.17 30.88 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -100.7 100.46 11.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.432 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 4.9 p-10 -48.42 108.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -100.59 172.38 7.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 110.29 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.454 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 98.1 m95 -147.78 63.54 7.73 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.481 1.113 . . . . 0.0 108.03 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.467 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -74.99 154.26 42.39 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.513 1.796 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.577 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -69.78 127.07 31.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.544 ' HB1' ' HB ' ' A' ' 48' ' ' VAL . . . -132.85 147.22 52.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.378 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -114.66 133.94 55.46 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.567 1.167 . . . . 0.0 110.304 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.484 HD13 HG12 ' A' ' 48' ' ' VAL . 6.1 mm -66.42 136.22 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 55.4 mt -115.7 -52.78 2.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.403 1.065 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.33 143.11 22.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.022 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.731 HG22 ' HD2' ' A' ' 46' ' ' PHE . 93.4 t -104.52 167.47 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.537 ' N ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -157.94 179.96 8.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.407 1.067 . . . . 0.0 109.353 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -159.6 124.45 4.01 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.705 HD12 HD22 ' A' ' 45' ' ' LEU . 11.9 mt -128.93 74.57 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.08 52.94 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.039 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.03 -25.31 10.2 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.399 1.062 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.618 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -78.33 87.61 4.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.777 . . . . 0.0 110.323 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 2.3 mtmt -74.16 130.82 40.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.705 HD22 HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -112.36 145.59 39.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.731 ' HD2' HG22 ' A' ' 37' ' ' VAL . 10.1 m-85 -139.0 119.88 14.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 111.03 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -78.86 91.19 4.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.679 HG21 HG21 ' A' ' 18' ' ' VAL . 6.4 m -96.85 153.89 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.36 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -126.93 116.28 20.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 109.614 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -62.41 109.69 1.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.157 . . . . 0.0 110.96 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.577 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -82.32 134.89 35.28 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.776 HG11 HG11 ' A' ' 18' ' ' VAL . 25.3 m -129.26 -177.67 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.0 p -114.0 -178.03 3.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.43 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.625 ' HA ' HD12 ' A' ' 66' ' ' LEU . 3.9 t-160 -76.73 -40.51 48.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.573 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -49.35 -28.78 5.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.356 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 27.9 mtt85 -86.49 -25.31 25.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.257 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' A' ' 63' ' ' HIS . 66.7 mt -71.99 117.22 13.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.406 ' C ' ' N ' ' A' ' 69' ' ' LYS . 8.6 t0 -102.07 72.12 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.776 HD22 HD11 ' A' ' 10' ' ' ILE . 3.9 mt -50.71 -21.89 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 67' ' ' ASP . 1.9 mttt -65.4 -10.22 31.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -135.19 25.87 3.53 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.564 1.165 . . . . 0.0 109.254 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.581 HG13 HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -68.78 165.42 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -152.72 62.93 0.8 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.14 . . . . 0.0 110.272 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.588 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 29.6 m-85 -37.88 152.43 0.14 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.547 1.814 . . . . 0.0 110.976 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -40.76 -78.14 0.06 OUTLIER Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.446 ' O ' HG23 ' A' ' 11' ' ' ILE . 4.5 pt-20 -136.82 131.39 33.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 0.807 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.72 HD11 HD22 ' A' ' 68' ' ' LEU . 11.2 mm -67.65 111.6 2.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.58 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.6 pp -111.85 168.52 4.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.627 1.205 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.476 ' O ' HD12 ' A' ' 11' ' ' ILE . 81.9 mt-10 -72.65 123.19 22.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.254 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.25 -32.55 4.86 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.605 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 16.5 m -49.01 138.63 11.42 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.413 ' CD ' HD11 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -114.35 123.14 48.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.234 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.837 HD12 ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -149.02 151.98 35.62 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.586 1.179 . . . . 0.0 109.342 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.405 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.1 Cg_endo -74.98 111.14 3.26 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.487 1.783 . . . . 0.0 110.959 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.86 HG11 HG11 ' A' ' 61' ' ' VAL . 54.6 t -91.52 115.45 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.462 ' HB3' ' CG ' ' A' ' 65' ' ' ARG . 12.6 tp -41.95 144.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.47 ' HD2' ' CZ ' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -164.07 114.39 1.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.263 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.3 mtt85 -89.36 105.19 17.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -65.1 178.78 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.0 -57.91 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.256 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.478 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 0.9 OUTLIER -47.58 -25.17 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.478 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 23.5 t30 81.42 43.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 27' ' ' ASP . 34.8 mt-10 -108.35 104.97 14.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.245 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 8.1 p-10 -40.01 103.06 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -96.36 171.32 8.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.441 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.9 m95 -146.11 64.28 9.79 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 107.993 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.441 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -75.11 147.95 34.2 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.537 1.809 . . . . 0.0 110.998 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.564 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.6 OUTLIER -63.74 130.37 43.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.441 ' N ' HD13 ' A' ' 31' ' ' LEU . . . -135.11 145.87 48.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.603 1.189 . . . . 0.0 109.238 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 22.6 tt0 -114.02 137.96 51.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.248 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.499 ' O ' HD23 ' A' ' 35' ' ' LEU . 3.6 mm -69.97 145.0 13.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.36 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 34' ' ' ILE . 33.1 mt -125.6 -52.21 1.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.79 147.46 28.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 110.03 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.648 HG22 ' HD2' ' A' ' 46' ' ' PHE . 62.8 t -111.06 168.82 4.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.559 ' N ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -161.52 -178.84 6.87 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -161.21 124.3 3.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.395 1.06 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.677 HD12 HD22 ' A' ' 45' ' ' LEU . 11.7 mt -127.65 71.38 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.7 53.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.41 -26.35 9.24 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.565 1.166 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.669 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -77.58 85.51 3.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 110.332 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.587 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -72.77 128.48 35.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.677 HD22 HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -109.6 140.19 43.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.73 ' CD1' HD11 ' A' ' 66' ' ' LEU . 21.6 m-85 -133.76 119.71 19.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -80.06 91.52 5.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 111.053 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.803 HG21 HG21 ' A' ' 18' ' ' VAL . 5.2 m -95.47 160.8 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -133.93 115.5 14.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.635 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.47 ' CZ ' ' HD2' ' A' ' 20' ' ' ARG . 47.5 m-85 -62.05 118.95 7.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.094 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.564 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 45.3 m95 -81.37 144.96 31.08 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.86 HG11 HG11 ' A' ' 18' ' ' VAL . 16.1 m -133.39 -171.62 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.246 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.4 p -123.12 169.58 11.08 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.385 1.053 . . . . 0.0 110.377 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.509 ' HA ' HD12 ' A' ' 66' ' ' LEU . 3.7 t-160 -60.32 -45.12 94.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.578 1.174 . . . . 0.0 109.641 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -46.7 -32.84 3.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 110.234 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.807 ' HB3' HG13 ' A' ' 18' ' ' VAL . 7.2 mtt180 -83.72 -28.94 27.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.239 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.73 HD11 ' CD1' ' A' ' 46' ' ' PHE . 46.2 mt -72.37 117.47 14.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.367 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -104.35 73.23 1.1 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.72 HD22 HD11 ' A' ' 10' ' ' ILE . 3.3 mt -52.01 -21.27 2.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -67.22 -9.57 41.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -133.79 18.02 3.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.357 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.511 HG13 HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -59.01 168.25 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.42 ' N ' HG23 ' A' ' 71' ' ' ILE . 15.4 mt-30 -154.88 61.64 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.321 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.605 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 30.4 m-85 -37.19 152.44 0.12 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.953 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.359 1.125 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -37.71 -80.7 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.472 ' O ' HG23 ' A' ' 11' ' ' ILE . 3.5 pt-20 -134.79 128.85 33.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 0.749 . . . . 0.0 110.28 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.909 HD11 HD22 ' A' ' 68' ' ' LEU . 6.6 mm -66.38 113.9 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.543 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.7 pp -115.75 170.24 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.495 ' O ' HD12 ' A' ' 11' ' ' ILE . 57.3 mt-10 -73.27 123.36 23.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.256 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.48 -27.48 6.9 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.529 1.143 . . . . 0.0 110.966 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.578 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 19.9 m -52.21 138.28 26.45 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.421 ' HB2' ' NH1' ' A' ' 15' ' ' ARG . 3.3 mtm105 -116.05 121.29 41.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.828 HD12 ' H ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -147.61 154.83 45.08 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.1 Cg_endo -75.01 107.82 2.57 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.436 1.756 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.747 HG11 HG11 ' A' ' 61' ' ' VAL . 49.6 t -90.85 111.47 23.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.406 1.067 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.6 tp -43.31 143.72 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.356 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -155.99 106.18 2.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.5 mtt180 -86.92 103.04 14.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.368 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -66.58 179.44 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -50.9 -47.62 60.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 14.1 m-20 -54.62 -26.28 31.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 4.3 t30 81.45 43.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -105.82 100.69 10.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 1.068 . . . . 0.0 110.328 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.448 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 8.4 p-10 -44.22 100.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -97.42 171.71 8.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.432 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.8 m95 -147.32 64.69 8.94 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 107.979 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.458 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 18.1 Cg_endo -75.04 153.44 41.58 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.467 1.772 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.519 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -68.83 128.4 36.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.63 ' HB1' ' HB ' ' A' ' 48' ' ' VAL . . . -133.13 146.78 51.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -114.39 137.47 51.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 110.241 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.8 mm -71.23 133.26 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.2 mt -113.02 -57.34 2.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -144.74 144.48 31.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.04 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.79 HG22 ' HD2' ' A' ' 46' ' ' PHE . 72.6 t -107.75 168.59 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.778 ' CD ' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -159.03 -179.27 7.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 0.0 109.308 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.713 ' O ' HD13 ' A' ' 40' ' ' ILE . 0.3 OUTLIER -157.26 118.14 3.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.778 HD11 ' CD ' ' A' ' 38' ' ' LYS . 26.1 mm -123.1 86.16 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.71 51.92 4.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 110.002 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.25 -23.83 16.57 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.555 1.159 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.692 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -78.71 91.95 4.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 0.789 . . . . 0.0 110.268 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 1.7 mtmt -76.55 125.8 29.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.692 HD13 ' CD ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -104.75 154.24 20.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.79 ' HD2' HG22 ' A' ' 37' ' ' VAL . 27.8 m-85 -147.1 120.63 9.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -81.17 93.41 6.46 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.63 ' HB ' ' HB1' ' A' ' 32' ' ' ALA . 21.8 m -95.62 153.47 3.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -127.61 115.91 19.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 109.591 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -59.76 121.37 11.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.957 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.519 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 63.3 m95 -74.56 153.49 39.02 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.747 HG11 HG11 ' A' ' 18' ' ' VAL . 19.2 m -143.14 -174.84 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.5 p -118.96 -179.76 3.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.427 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.793 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.8 OUTLIER -73.46 -41.17 63.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.581 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -43.93 -43.68 6.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.278 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -75.67 -31.53 59.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.312 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.793 HD12 ' HA ' ' A' ' 63' ' ' HIS . 36.0 mt -65.71 112.99 3.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.371 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.402 ' C ' ' N ' ' A' ' 69' ' ' LYS . 10.1 t0 -98.63 71.94 1.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.909 HD22 HD11 ' A' ' 10' ' ' ILE . 3.6 mt -51.38 -21.36 2.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 67' ' ' ASP . 4.4 mttt -66.23 -9.93 37.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.5 mttp -131.58 13.67 4.95 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.575 HD11 HD13 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -54.72 159.91 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 73' ' ' PHE . 31.7 mt-30 -147.39 61.87 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.33 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.578 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 26.9 m-85 -36.73 153.77 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.531 1.806 . . . . 0.0 110.955 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -37.82 -79.76 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.463 ' O ' HG23 ' A' ' 11' ' ' ILE . 3.3 pt-20 -136.97 131.36 32.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 0.796 . . . . 0.0 110.364 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.724 HD11 HD22 ' A' ' 68' ' ' LEU . 6.9 mm -67.08 107.24 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.479 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.9 pp -105.95 171.34 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.466 ' O ' HD12 ' A' ' 11' ' ' ILE . 45.3 mt-10 -76.31 122.93 25.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.42 -25.68 7.64 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.9 m -53.64 142.59 22.57 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.417 ' HB3' HD11 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -118.96 120.5 37.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 110.343 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.823 HD12 ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.06 154.44 42.96 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.5 Cg_endo -74.96 107.98 2.61 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.556 1.819 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.71 HG21 HG21 ' A' ' 48' ' ' VAL . 66.7 t -90.43 113.19 26.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.407 1.067 . . . . 0.0 109.267 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.5 tp -45.26 130.23 8.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.503 ' HG3' ' CZ ' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -147.08 111.38 5.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -81.97 109.65 16.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.325 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -72.32 -179.96 3.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.416 1.073 . . . . 0.0 109.248 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.4 ' C ' ' N ' ' A' ' 25' ' ' ASN . 4.5 tp60 -46.6 -58.12 4.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 110.304 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 82.9 m-20 -47.21 -25.22 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 4.0 t-20 82.03 38.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 28' ' ' GLU . 33.2 mt-10 -103.38 107.23 17.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -45.84 95.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 26' ' ' GLU . 12.0 tt0 -91.39 168.97 11.17 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.12 . . . . 0.0 110.307 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.418 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 98.4 m95 -137.85 65.29 45.28 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -75.06 148.73 35.46 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.451 1.764 . . . . 0.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.454 ' HA ' HD22 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -67.37 130.21 42.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 0.0 109.23 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.459 ' HA ' HD13 ' A' ' 51' ' ' ILE . . . -134.69 148.87 50.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -116.84 133.73 55.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.627 HD13 HG12 ' A' ' 48' ' ' VAL . 4.1 mm -65.5 145.26 14.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.582 HD23 ' O ' ' A' ' 34' ' ' ILE . 40.3 mt -124.62 -48.4 1.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.335 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.89 143.91 20.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 110.043 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.754 HG22 ' HD2' ' A' ' 46' ' ' PHE . 67.8 t -108.28 168.23 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.631 ' HE3' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -157.95 -176.35 5.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.442 ' O ' HD13 ' A' ' 40' ' ' ILE . 0.6 OUTLIER -159.41 120.67 3.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 109.312 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.631 HD11 ' HE3' ' A' ' 38' ' ' LYS . 13.0 mm -125.41 91.52 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.24 42.82 17.87 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 109.98 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.86 -24.52 30.69 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.129 . . . . 0.0 111.044 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.646 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -75.72 91.89 2.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 110.291 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.583 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -75.33 125.36 28.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.646 HD13 ' CD ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -105.05 154.44 20.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.353 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.754 ' HD2' HG22 ' A' ' 37' ' ' VAL . 21.6 m-85 -147.4 115.81 6.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.999 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -76.88 92.39 3.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.942 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.71 HG21 HG21 ' A' ' 18' ' ' VAL . 23.8 m -95.6 148.96 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.566 1.166 . . . . 0.0 109.357 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -125.54 116.16 21.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.581 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.503 ' CZ ' ' HG3' ' A' ' 20' ' ' ARG . 25.2 m-85 -58.2 142.13 48.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.598 1.186 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.459 HD13 ' HA ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -88.92 142.31 27.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 108.015 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.705 HG11 HG11 ' A' ' 18' ' ' VAL . 27.5 m -138.48 -176.66 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.35 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.4 p -112.12 177.8 4.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 0.0 110.426 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.838 ' HA ' HD12 ' A' ' 66' ' ' LEU . 22.6 t-160 -79.49 1.71 24.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.616 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -82.58 -44.11 16.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.241 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.45 -23.62 53.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.838 HD12 ' HA ' ' A' ' 63' ' ' HIS . 38.6 mt -68.34 105.84 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.402 1.064 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.403 ' C ' ' N ' ' A' ' 69' ' ' LYS . 12.3 t0 -92.72 72.58 4.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.27 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.724 HD22 HD11 ' A' ' 10' ' ' ILE . 3.7 mt -51.27 -21.52 2.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 67' ' ' ASP . 8.3 mttt -66.64 -9.6 37.44 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.553 1.158 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.2 mttp -134.2 21.22 3.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.62 HG13 HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -64.24 162.88 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 109.37 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -148.71 65.25 1.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -38.39 154.22 0.14 Allowed Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.557 1.161 . . . . 0.0 110.951 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.097 0 O-C-N 124.47 1.774 . . . . 0.0 111.006 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.22 142.33 0.35 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 0.785 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.5 p -140.31 165.81 26.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.41 1.069 . . . . 0.0 110.041 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.8 131.67 16.28 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.7 p -151.86 150.43 30.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 0.0 109.995 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.75 114.33 25.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 42.08 45.14 4.95 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -38.08 -75.73 0.08 OUTLIER Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.449 ' O ' HG23 ' A' ' 11' ' ' ILE . 4.1 pt-20 -137.86 131.36 30.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 0.761 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.674 HD11 HD22 ' A' ' 68' ' ' LEU . 9.6 mm -69.36 108.24 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.661 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.3 pp -106.64 166.68 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.421 1.076 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.517 ' N ' HD12 ' A' ' 11' ' ' ILE . 49.4 mt-10 -70.83 124.48 24.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.42 -28.6 6.46 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.5 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 19.6 m -52.13 137.77 27.13 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.54 121.26 42.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.322 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.825 HD12 ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.92 156.0 40.72 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.237 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.45 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.2 Cg_endo -74.97 108.35 2.7 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.452 1.764 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.816 HG11 HG11 ' A' ' 61' ' ' VAL . 53.9 t -91.57 112.02 24.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.392 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.9 tp -42.31 144.78 0.45 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -164.96 108.78 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -80.63 107.79 13.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -68.6 177.68 2.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.414 1.071 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.431 ' C ' ' N ' ' A' ' 25' ' ' ASN . 1.3 tt0 -44.72 -62.06 1.35 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 8.4 m-20 -42.6 -28.02 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 21.3 t30 82.9 48.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 27' ' ' ASP . 45.2 mt-10 -114.91 106.28 13.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.425 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 8.7 p-10 -39.92 101.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.61 1.194 . . . . 0.0 109.227 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -96.52 170.97 8.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.366 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.425 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.8 m95 -145.62 65.03 10.99 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.479 1.112 . . . . 0.0 108.008 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.45 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 18.1 Cg_endo -74.99 154.08 42.28 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.47 1.774 . . . . 0.0 110.946 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.455 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -71.34 128.16 34.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.587 ' HB1' ' HB ' ' A' ' 48' ' ' VAL . . . -133.01 148.68 52.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 109.369 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -115.44 134.65 54.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.578 HD13 HG12 ' A' ' 48' ' ' VAL . 5.4 mm -67.11 139.62 20.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.424 HD23 ' O ' ' A' ' 34' ' ' ILE . 47.2 mt -119.21 -50.19 2.36 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.31 150.22 30.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.795 HG22 ' HD2' ' A' ' 46' ' ' PHE . 94.5 t -113.19 167.91 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.586 ' HE3' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -160.13 -179.25 7.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.51 124.03 3.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.691 HD12 HD22 ' A' ' 45' ' ' LEU . 13.0 mt -127.3 70.28 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.89 53.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.13 -26.46 8.69 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.651 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -77.3 83.77 3.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.75 . . . . 0.0 110.278 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -70.78 129.19 38.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 109.312 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.691 HD22 HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -109.37 144.8 37.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.795 ' HD2' HG22 ' A' ' 37' ' ' VAL . 25.7 m-85 -138.47 124.78 20.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 58' ' ' ASP . 7.2 t80 -86.44 93.15 9.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.676 HG21 HG21 ' A' ' 18' ' ' VAL . 15.6 m -95.91 154.32 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 30.3 t60 -127.45 115.91 19.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.636 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -58.63 131.26 50.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 111.021 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.455 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -119.17 88.83 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.264 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 178.55 101.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 42.87 94.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.443 ' CG ' HD11 ' A' ' 57' ' ' LEU . 6.6 m-20 175.25 153.85 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.386 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.38 -58.97 2.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -175.91 128.94 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.334 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.443 HD11 ' CG ' ' A' ' 54' ' ' ASN . 0.9 OUTLIER -125.1 -76.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 47' ' ' TYR . 1.8 m-20 61.6 116.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -156.15 151.67 26.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 83.9 m95 -74.81 148.83 39.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 107.974 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.816 HG11 HG11 ' A' ' 18' ' ' VAL . 35.2 m -139.72 -171.72 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.3 p -122.57 174.11 7.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.392 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.564 ' HA ' HD12 ' A' ' 66' ' ' LEU . 3.7 t-160 -69.4 -41.01 76.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.649 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -47.42 -32.14 4.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 110.25 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -86.77 -26.28 24.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.58 1.175 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.583 HD11 ' CD1' ' A' ' 46' ' ' PHE . 71.6 mt -71.48 108.87 5.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -94.49 73.62 3.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.674 HD22 HD11 ' A' ' 10' ' ' ILE . 4.0 mt -51.82 -21.48 2.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -67.32 -9.14 38.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -134.54 24.24 3.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.616 HG13 HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -68.9 163.76 3.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 73' ' ' PHE . 35.1 mt-30 -150.6 63.69 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.5 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 26.6 m-85 -37.43 153.88 0.11 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.08 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 155.44 42.86 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.534 1.807 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -104.59 72.11 1.02 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.97 129.83 34.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 61.61 145.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.12 141.4 50.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.85 101.45 13.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.412 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 0.5 OUTLIER -162.67 146.8 9.14 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.428 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 80' ' ' THR . 18.5 Cg_endo -74.87 -165.47 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.501 1.79 . . . . 0.0 111.091 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.28 106.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.95 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -37.9 103.01 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.45 1.093 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 120.58 6.13 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.448 1.762 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.01 137.1 47.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.574 1.171 . . . . 0.0 110.005 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.4 p 61.84 114.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.504 1.127 . . . . 0.0 110.972 -179.983 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -171.42 159.65 5.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.735 . . . . 0.0 110.022 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.72 143.25 43.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.036 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.49 -127.24 2.19 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.454 1.096 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.69 159.48 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 0.757 . . . . 0.0 109.93 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -138.03 -58.92 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.998 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.88 46.64 0.06 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.128 . . . . 0.0 110.996 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -37.68 -79.12 0.04 OUTLIER Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.474 ' O ' HG23 ' A' ' 11' ' ' ILE . 4.5 pt-20 -136.03 129.69 32.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.798 HD11 HD22 ' A' ' 68' ' ' LEU . 7.2 mm -66.93 113.68 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.607 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.6 pp -115.47 171.94 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.532 ' N ' HD12 ' A' ' 11' ' ' ILE . 48.9 mt-10 -73.94 124.67 26.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.33 -30.6 5.95 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.433 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 24.3 m -50.26 135.63 21.15 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.406 ' CD ' HD11 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -113.76 122.86 48.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.107 . . . . 0.0 110.291 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.842 HD12 ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -149.38 154.58 38.77 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 113.51 3.81 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.48 1.779 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.747 HG11 HG11 ' A' ' 61' ' ' VAL . 68.2 t -91.77 107.54 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.411 HD13 ' CZ2' ' A' ' 29' ' ' TRP . 7.8 tp -40.05 149.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -165.4 108.4 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.428 ' CG ' ' OD1' ' A' ' 27' ' ' ASP . 9.0 mtt180 -83.52 103.26 12.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.348 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -66.73 178.66 1.25 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.416 ' C ' ' N ' ' A' ' 25' ' ' ASN . 36.8 tt0 -46.52 -58.36 3.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.591 1.182 . . . . 0.0 110.258 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 1.2 m-20 -46.76 -25.48 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 3.1 t-20 82.65 38.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 28' ' ' GLU . 32.7 mt-10 -103.25 98.72 8.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.428 ' OD1' ' CG ' ' A' ' 21' ' ' ARG . 29.5 m-20 -40.22 98.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 109.376 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 26' ' ' GLU . 16.5 tt0 -91.31 169.71 10.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.411 ' CZ2' HD13 ' A' ' 19' ' ' LEU . 98.2 m95 -141.31 65.36 21.56 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.406 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.2 Cg_endo -75.06 126.19 9.77 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.464 1.77 . . . . 0.0 110.968 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.695 HD13 ' N ' ' A' ' 32' ' ' ALA . 1.0 OUTLIER -49.93 150.06 2.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.261 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.695 ' N ' HD13 ' A' ' 31' ' ' LEU . . . -153.4 174.55 14.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -138.53 135.86 35.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.5 mm -71.0 138.16 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.51 HD11 ' HB2' ' A' ' 49' ' ' HIS . 26.5 mt -117.01 -45.38 2.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.85 145.38 17.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.95 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.797 HG22 ' HD2' ' A' ' 46' ' ' PHE . 97.3 t -107.15 167.94 3.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.404 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.55 ' N ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -158.49 -177.62 6.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -161.9 124.07 2.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.681 HD12 HD22 ' A' ' 45' ' ' LEU . 8.0 mt -126.02 73.74 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.19 51.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.398 1.061 . . . . 0.0 110.015 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.7 -28.91 9.18 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.64 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -75.16 87.75 2.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.601 0.824 . . . . 0.0 110.333 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -74.3 127.55 33.28 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.424 1.077 . . . . 0.0 109.325 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.681 HD22 HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -107.26 148.29 29.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.797 ' HD2' HG22 ' A' ' 37' ' ' VAL . 27.2 m-85 -141.92 113.31 7.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.431 1.082 . . . . 0.0 111.042 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.488 ' CZ ' ' HB3' ' A' ' 58' ' ' ASP . 5.1 t80 -75.03 95.52 3.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.586 HG21 HG21 ' A' ' 18' ' ' VAL . 15.9 m -96.0 163.47 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.874 ' NE2' HD22 ' A' ' 57' ' ' LEU . 25.5 t60 -127.25 118.16 23.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.412 1.07 . . . . 0.0 109.618 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.544 ' O ' HD21 ' A' ' 57' ' ' LEU . 3.7 m-30 -66.6 112.13 3.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -94.15 67.51 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 53' ' ' PHE . 46.1 t0 -169.94 33.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.609 1.193 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.403 ' O ' ' O ' ' A' ' 52' ' ' ASP . 0.1 OUTLIER 50.08 101.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.547 1.154 . . . . 0.0 111.009 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -141.99 140.29 32.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.82 150.18 4.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 42.68 60.27 2.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.423 1.077 . . . . 0.0 110.351 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.874 HD22 ' NE2' ' A' ' 49' ' ' HIS . 2.0 mt -48.87 166.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.488 ' HB3' ' CZ ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER 62.83 119.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 109.241 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -162.17 147.68 12.95 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.507 1.129 . . . . 0.0 110.27 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -78.6 149.28 32.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 107.973 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.747 HG11 HG11 ' A' ' 18' ' ' VAL . 34.9 m -141.82 -178.37 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 49.6 p -114.21 176.47 5.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 110.403 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.608 ' HA ' HD12 ' A' ' 66' ' ' LEU . 7.0 t-160 -77.1 -13.99 59.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.6 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -68.03 -31.31 70.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -88.99 -28.54 20.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 110.307 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 63' ' ' HIS . 75.7 mt -63.32 116.34 5.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -103.21 73.36 1.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.112 . . . . 0.0 109.242 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.798 HD22 HD11 ' A' ' 10' ' ' ILE . 3.9 mt -51.47 -21.5 2.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.5 mttm -66.0 -10.36 38.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -131.5 14.66 4.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.606 HG13 HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -56.08 159.16 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 73' ' ' PHE . 37.4 mt-30 -146.99 63.27 1.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.247 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.433 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 25.5 m-85 -37.21 152.75 0.11 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 111.004 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 148.98 35.63 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -68.54 119.85 13.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.87 160.86 8.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -112.34 98.44 7.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -163.17 71.23 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.607 1.192 . . . . 0.0 109.274 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.29 -65.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.77 HG23 ' HD2' ' A' ' 81' ' ' PRO . 2.7 m 63.37 147.18 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.429 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.77 ' HD2' HG23 ' A' ' 80' ' ' THR . 18.3 Cg_endo -75.04 75.08 3.82 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.463 1.77 . . . . 0.0 110.971 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.9 m -131.25 132.38 44.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -81.94 133.05 11.63 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 96.6 1.02 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.467 1.772 . . . . 0.0 111.071 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.3 p -134.2 98.33 4.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 110.004 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.7 m -61.92 -59.13 5.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.987 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 O-C-N 124.544 1.152 . . . . 0.0 110.945 179.96 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.58 132.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 0.799 . . . . 0.0 110.05 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 m -145.07 107.0 4.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 109.975 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.25 170.63 44.53 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -161.3 156.41 23.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 0.768 . . . . 0.0 110.011 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.78 120.04 40.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 110.019 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.34 52.37 13.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.557 1.161 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -37.99 -81.62 0.02 OUTLIER Glycine 0 CA--C 1.531 1.085 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 11' ' ' ILE . 2.4 pt-20 -138.62 134.34 33.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 0.794 . . . . 0.0 110.292 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.851 HD11 HD22 ' A' ' 68' ' ' LEU . 7.1 mm -68.16 108.64 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.57 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.8 pp -112.8 170.73 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.485 ' O ' HD12 ' A' ' 11' ' ' ILE . 49.2 mt-10 -71.74 122.99 21.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.5 -29.42 6.38 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 110.947 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.47 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 14.8 m -50.93 138.27 19.45 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -116.07 120.04 37.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.824 HD12 ' H ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -147.68 156.04 44.96 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.457 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.5 Cg_endo -74.96 107.02 2.39 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.427 1.751 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.799 HG11 HG11 ' A' ' 61' ' ' VAL . 50.1 t -90.02 114.45 27.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.443 1.09 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.437 ' HB3' ' CG ' ' A' ' 65' ' ' ARG . 5.3 tp -47.1 149.18 0.98 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.414 1.071 . . . . 0.0 109.201 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 -162.41 106.3 1.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.424 ' NE ' ' OD2' ' A' ' 27' ' ' ASP . 35.6 mtt180 -85.35 103.47 14.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 -66.23 179.16 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -52.04 -48.06 64.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.258 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.477 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 8.3 m-20 -57.57 -22.2 43.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 20.9 t30 80.93 42.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 28' ' ' GLU . 34.3 mt-10 -103.01 89.32 3.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.424 ' OD2' ' NE ' ' A' ' 21' ' ' ARG . 5.1 m-20 -42.64 97.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 26' ' ' GLU . 12.3 tt0 -94.42 169.18 10.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.266 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.427 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.4 m95 -139.14 65.01 35.01 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.457 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -74.99 154.5 42.59 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.521 1.8 . . . . 0.0 110.996 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.434 ' HA ' HD22 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -70.65 128.97 37.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.469 ' HB1' ' HB ' ' A' ' 48' ' ' VAL . . . -133.35 146.36 51.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -113.86 135.41 54.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.246 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.696 HD13 HG12 ' A' ' 48' ' ' VAL . 7.2 mm -68.32 144.05 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.531 HD23 ' O ' ' A' ' 34' ' ' ILE . 41.2 mt -124.66 -50.71 1.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.7 145.46 25.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.013 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.65 HG22 ' HD2' ' A' ' 46' ' ' PHE . 89.3 t -110.62 168.0 4.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.549 ' N ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -160.62 -175.87 5.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.402 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.9 OUTLIER -160.9 119.88 2.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.464 1.103 . . . . 0.0 109.383 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.679 HD12 HD22 ' A' ' 45' ' ' LEU . 11.7 mt -121.14 73.11 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 72.5 54.23 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.94 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.14 -28.26 6.85 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.536 1.147 . . . . 0.0 110.949 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.648 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -75.57 84.85 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 0.737 . . . . 0.0 110.321 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.581 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -69.81 126.63 30.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.679 HD22 HD12 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -104.88 152.6 22.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.65 ' HD2' HG22 ' A' ' 37' ' ' VAL . 21.3 m-85 -145.5 117.65 8.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -79.2 91.82 5.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.555 1.159 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.696 HG12 HD13 ' A' ' 34' ' ' ILE . 11.4 m -95.86 154.7 3.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -130.7 115.86 17.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.616 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.503 ' HB2' HD23 ' A' ' 57' ' ' LEU . 24.6 m-85 -58.82 130.09 45.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.406 HD13 ' HA ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -110.08 19.71 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.305 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.88 163.16 25.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -43.27 129.55 4.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 176.15 165.89 0.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.93 -71.92 0.57 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 110.267 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.3 ttt85 -65.79 140.27 58.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 110.265 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.503 HD23 ' HB2' ' A' ' 50' ' ' TYR . 3.0 mt -139.97 154.08 47.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 57.26 99.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -158.18 150.86 22.41 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.438 1.086 . . . . 0.0 110.262 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -77.02 139.14 39.97 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.799 HG11 HG11 ' A' ' 18' ' ' VAL . 32.6 m -128.75 -171.79 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.2 p -123.11 174.52 7.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.405 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.704 ' HA ' HD12 ' A' ' 66' ' ' LEU . 1.2 t-160 -65.78 -44.53 85.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 109.605 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -45.87 -36.78 5.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.292 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.702 ' HB3' HG13 ' A' ' 18' ' ' VAL . 2.6 mtt180 -77.55 -31.47 53.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.092 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.704 HD12 ' HA ' ' A' ' 63' ' ' HIS . 29.4 mt -69.64 115.17 8.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.41 ' C ' ' N ' ' A' ' 69' ' ' LYS . 5.3 t0 -102.39 72.69 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.351 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.851 HD22 HD11 ' A' ' 10' ' ' ILE . 2.9 mt -50.82 -21.43 1.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.41 ' N ' ' C ' ' A' ' 67' ' ' ASP . 0.8 OUTLIER -65.35 -9.82 27.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.2 mttp -135.44 21.77 3.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.615 HD11 HD13 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -63.44 166.06 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 73' ' ' PHE . 14.1 mt-30 -153.3 62.28 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.074 . . . . 0.0 110.331 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.47 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 29.8 m-85 -36.72 153.43 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.936 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 158.31 42.53 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.552 1.817 . . . . 0.0 111.024 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -87.43 146.98 25.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.41 82.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -117.39 171.94 7.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -100.76 136.27 40.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.19 138.98 34.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 68.4 p -77.79 158.18 78.42 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.424 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 130.27 13.15 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.514 1.797 . . . . 0.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.03 146.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.393 1.058 . . . . 0.0 109.992 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -175.52 156.43 21.99 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.56 1.163 . . . . 0.0 110.998 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 163.15 35.97 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.52 1.8 . . . . 0.0 111.005 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.7 t -151.27 151.95 32.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.044 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.2 t -140.07 157.57 45.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.002 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.35 156.45 44.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 0.791 . . . . 0.0 109.988 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.79 129.7 1.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.008 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.55 -173.73 19.14 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.036 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -160.94 162.16 31.89 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 0.758 . . . . 0.0 109.969 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 m -144.51 131.37 20.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.955 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . 39.51 53.57 2.87 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.448 1.093 . . . . 0.0 110.998 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -37.15 -81.14 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.436 ' O ' HG23 ' A' ' 11' ' ' ILE . 3.8 pt-20 -136.33 131.67 34.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 0.747 . . . . 0.0 110.25 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.786 HD11 HD22 ' A' ' 68' ' ' LEU . 7.6 mm -68.13 111.68 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.36 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.643 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.5 pp -114.67 172.53 3.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.536 ' N ' HD12 ' A' ' 11' ' ' ILE . 61.1 mt-10 -74.5 123.49 24.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.266 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.66 -27.01 7.39 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.46 1.1 . . . . 0.0 110.923 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.539 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 22.0 m -52.89 137.52 32.07 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.411 ' HB2' ' NH1' ' A' ' 15' ' ' ARG . 3.5 mtm105 -115.73 120.36 39.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 110.325 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.828 HD12 ' H ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -147.37 155.67 46.06 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.256 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.2 Cg_endo -75.04 108.24 2.67 Favored 'Trans proline' 0 C--N 1.362 1.262 0 O-C-N 124.488 1.783 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.753 HG11 HG11 ' A' ' 61' ' ' VAL . 43.4 t -93.69 125.71 46.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 32.0 tp -42.54 145.28 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.4 ttt85 -160.02 100.49 1.4 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.477 1.111 . . . . 0.0 110.274 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -85.44 105.96 16.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -66.94 172.76 4.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -53.75 -25.29 18.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.341 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 4.8 m-20 -74.71 -21.58 59.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.341 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 25.9 t30 81.16 38.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 0.0 109.325 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 28' ' ' GLU . 33.3 mt-10 -106.37 91.88 3.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -41.14 97.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 26' ' ' GLU . 15.6 tt0 -92.76 169.15 10.7 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.462 1.101 . . . . 0.0 110.258 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.45 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.4 m95 -136.21 63.89 51.6 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 107.988 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.467 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -74.98 150.39 38.16 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.491 1.785 . . . . 0.0 110.962 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.484 ' HA ' HD22 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -64.02 133.25 52.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.439 ' N ' HD13 ' A' ' 31' ' ' LEU . . . -135.21 143.09 46.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.437 1.086 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -112.79 131.46 55.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.704 HD13 HG12 ' A' ' 48' ' ' VAL . 4.5 mm -67.47 140.66 18.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 37.4 mt -119.62 -53.16 2.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.0 145.18 26.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.957 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.765 HG22 ' HD2' ' A' ' 46' ' ' PHE . 91.1 t -109.59 167.97 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.958 ' HE2' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -160.25 -176.37 5.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.418 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -159.62 122.08 3.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.253 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.958 HD11 ' HE2' ' A' ' 38' ' ' LYS . 90.0 mt -141.84 102.99 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.55 47.58 2.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.963 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.27 6.55 47.9 Favored Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.459 1.099 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.69 ' HD2' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -101.73 84.03 2.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 110.325 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -62.66 127.54 31.77 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.407 1.067 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.69 HD13 ' HD2' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -105.21 154.15 20.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.765 ' HD2' HG22 ' A' ' 37' ' ' VAL . 27.0 m-85 -147.25 116.85 7.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.507 ' CZ ' ' HB2' ' A' ' 58' ' ' ASP . 6.6 t80 -80.46 90.04 5.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.406 1.066 . . . . 0.0 110.947 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.704 HG12 HD13 ' A' ' 34' ' ' ILE . 4.9 m -95.97 153.66 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.315 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -125.47 116.09 21.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.583 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -59.92 129.78 43.53 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -120.4 127.73 75.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -170.18 -59.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 109.346 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -171.91 52.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 111.021 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.519 ' HB3' HD12 ' A' ' 57' ' ' LEU . 6.9 m-20 -166.16 -172.62 2.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -154.67 161.91 41.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 67.57 28.37 7.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.34 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.519 HD12 ' HB3' ' A' ' 54' ' ' ASN . 12.7 mt -103.54 30.73 4.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.351 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.507 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 10.2 p30 -82.38 138.37 34.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -159.03 163.19 36.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 110.31 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 86.4 m95 -86.79 128.58 35.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 107.986 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.753 HG11 HG11 ' A' ' 18' ' ' VAL . 18.2 m -121.67 -171.63 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.632 1.208 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 76.3 p -119.95 179.73 4.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.417 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.61 ' HA ' HD12 ' A' ' 66' ' ' LEU . 3.6 t-160 -75.35 -41.12 57.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.587 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -50.19 -26.22 4.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.451 ' HB3' HG13 ' A' ' 18' ' ' VAL . 16.9 mtt85 -89.39 -24.34 21.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' ' 63' ' ' HIS . 63.0 mt -73.61 112.25 9.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -97.64 74.14 2.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.232 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.786 HD22 HD11 ' A' ' 10' ' ' ILE . 3.4 mt -53.05 -20.27 3.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.127 . . . . 0.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -68.11 -8.36 37.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -135.99 22.66 3.29 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.631 HG13 HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -65.68 160.0 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 73' ' ' PHE . 4.1 mt-30 -146.66 62.69 1.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.539 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 26.5 m-85 -36.89 153.92 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.036 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 176.38 10.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.484 1.781 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -106.22 123.55 48.2 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.42 1.075 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -157.52 164.8 36.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.04 148.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.263 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -125.31 118.56 26.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.38 -75.38 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.328 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.797 HG22 ' HD2' ' A' ' 81' ' ' PRO . 1.3 m 63.28 147.53 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.797 ' HD2' HG22 ' A' ' 80' ' ' THR . 18.2 Cg_endo -74.95 136.96 21.2 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.45 1.763 . . . . 0.0 111.026 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 60.1 p -55.19 159.55 2.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.043 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -38.55 153.03 0.03 OUTLIER Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.491 1.119 . . . . 0.0 111.04 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 166.6 28.84 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.45 1.763 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.73 166.18 18.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.001 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.2 m 61.79 158.16 0.05 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.51 1.131 . . . . 0.0 109.971 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.069 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.82 108.1 0.57 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 0.807 . . . . 0.0 110.025 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.14 122.5 11.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.068 . . . . 0.0 109.976 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.67 -166.02 15.17 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.542 1.152 . . . . 0.0 111.053 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.92 -56.4 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.597 0.822 . . . . 0.0 109.983 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -58.0 149.1 23.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.961 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.48 56.38 3.49 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.518 1.136 . . . . 0.0 110.942 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -39.92 -83.05 0.01 OUTLIER Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.457 ' O ' HG23 ' A' ' 11' ' ' ILE . 3.9 pt-20 -138.14 132.42 31.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 110.322 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.837 HD11 HD22 ' A' ' 68' ' ' LEU . 6.6 mm -66.32 111.19 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.564 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.9 pp -114.19 170.11 4.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.427 ' O ' HD12 ' A' ' 11' ' ' ILE . 55.1 mt-10 -72.79 123.22 22.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.19 -30.84 5.68 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.9 m -51.49 141.12 16.45 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.408 ' CD ' HD11 ' A' ' 31' ' ' LEU . 5.5 mtt180 -117.53 122.11 42.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.365 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.841 HD12 ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.75 154.42 40.5 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.2 Cg_endo -75.06 107.5 2.5 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.508 1.794 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.946 HG11 HG11 ' A' ' 61' ' ' VAL . 43.3 t -90.0 114.5 27.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.8 tp -41.94 138.23 1.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.243 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.447 ' CZ ' ' HA ' ' A' ' 22' ' ' ASN . 0.2 OUTLIER -152.53 112.64 4.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -90.71 96.61 10.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 110.316 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.447 ' HA ' ' CZ ' ' A' ' 20' ' ' ARG . 3.5 p30 -58.77 176.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.421 ' C ' ' N ' ' A' ' 25' ' ' ASN . 1.6 mt-30 -45.63 -58.29 3.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.235 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.504 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 1.7 m-20 -46.42 -25.55 0.68 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 2.0 t-20 82.11 43.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.354 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 28' ' ' GLU . 29.1 mt-10 -107.01 98.82 8.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.238 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.41 98.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 26' ' ' GLU . 14.2 tt0 -94.5 169.14 10.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.571 1.169 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.425 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 98.0 m95 -138.57 64.84 38.61 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.454 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 18.4 Cg_endo -74.96 152.37 40.89 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.531 1.806 . . . . 0.0 111.006 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.487 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.6 OUTLIER -69.63 129.28 39.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.513 ' HB1' ' HB ' ' A' ' 48' ' ' VAL . . . -134.8 145.25 48.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.354 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -111.9 137.01 50.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.361 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.523 HD13 HG12 ' A' ' 48' ' ' VAL . 4.7 mm -69.33 136.66 25.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 47.5 mt -116.41 -52.33 2.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.79 144.82 24.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.971 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.763 HG22 ' HD2' ' A' ' 46' ' ' PHE . 88.6 t -108.46 168.09 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.987 ' HE2' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -160.1 -177.56 6.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.148 . . . . 0.0 109.245 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.425 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.4 OUTLIER -158.85 121.04 3.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.987 HD11 ' HE2' ' A' ' 38' ' ' LYS . 80.1 mt -141.09 110.8 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.07 48.98 9.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.934 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 67.28 7.85 47.48 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.686 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -104.34 94.09 5.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 0.756 . . . . 0.0 110.283 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.588 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -70.56 127.35 32.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.4 1.063 . . . . 0.0 109.257 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.686 HD13 ' CD ' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -105.84 152.5 23.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.763 ' HD2' HG22 ' A' ' 37' ' ' VAL . 23.2 m-85 -145.75 119.6 9.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -81.41 91.1 6.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.973 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.639 HG21 HG21 ' A' ' 18' ' ' VAL . 11.9 m -96.0 154.18 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.444 ' ND1' ' OD2' ' A' ' 58' ' ' ASP . 74.0 t60 -129.16 115.89 18.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.574 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.701 ' HB2' HD23 ' A' ' 57' ' ' LEU . 24.3 m-85 -59.07 131.11 50.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.487 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -116.16 3.06 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -100.55 -67.99 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.17 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.449 ' O ' ' ND2' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -165.2 147.77 8.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.652 ' ND2' ' CD2' ' A' ' 50' ' ' TYR . 0.7 OUTLIER 174.18 -174.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.04 -44.23 2.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.0 tpt85 -75.03 -57.8 3.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.701 HD23 ' HB2' ' A' ' 50' ' ' TYR . 6.3 mt 64.23 141.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.584 1.178 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.444 ' OD2' ' ND1' ' A' ' 49' ' ' HIS . 2.6 m-20 56.63 97.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -159.34 166.64 30.74 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -87.64 140.98 28.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 107.973 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.946 HG11 HG11 ' A' ' 18' ' ' VAL . 28.5 m -130.66 -171.61 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.4 p -122.28 170.9 9.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 66' ' ' LEU . 2.0 t-160 -62.31 -46.33 89.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.539 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -48.17 -28.01 2.73 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 110.358 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.745 ' HB3' HG13 ' A' ' 18' ' ' VAL . 3.3 mtt180 -85.18 -28.42 25.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.161 . . . . 0.0 110.305 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.642 HD11 ' CD1' ' A' ' 46' ' ' PHE . 38.4 mt -74.34 115.56 13.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.407 ' C ' ' N ' ' A' ' 69' ' ' LYS . 12.1 t0 -100.89 73.14 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.837 HD22 HD11 ' A' ' 10' ' ' ILE . 3.3 mt -50.81 -21.54 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 67' ' ' ASP . 9.8 mttt -64.52 -10.94 29.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.224 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -134.42 21.84 3.69 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.629 HG13 HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -62.22 156.73 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.535 ' CG ' ' O ' ' A' ' 72' ' ' GLN . 3.3 tt0 -143.31 71.01 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -45.89 151.77 0.83 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 111.029 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 165.7 30.78 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.498 1.788 . . . . 0.0 111.051 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.0 tttt -91.92 132.56 36.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.52 147.0 24.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -68.98 84.09 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -129.55 95.26 3.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 0.0 109.259 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.587 ' HE2' HG23 ' A' ' 80' ' ' THR . 0.0 OUTLIER -48.78 102.06 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.587 HG23 ' HE2' ' A' ' 79' ' ' LYS . 69.8 p 46.2 95.17 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.432 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -46.17 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.475 1.777 . . . . 0.0 111.051 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.54 122.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.979 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -103.03 106.57 2.91 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -40.37 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 26.4 p -150.96 102.24 2.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 110.028 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 84.3 p -63.48 98.92 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.434 1.084 . . . . 0.0 110.016 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.931 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 m -153.25 111.0 3.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.0 151.32 45.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.967 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.79 177.43 35.65 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.428 1.08 . . . . 0.0 110.981 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.38 114.52 15.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 0.784 . . . . 0.0 110.018 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.77 -63.12 1.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.9 46.83 0.12 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.128 . . . . 0.0 111.049 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -38.5 -78.21 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 11' ' ' ILE . 4.1 pt-20 -136.18 130.06 32.61 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.469 0.747 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.722 HD11 HD22 ' A' ' 68' ' ' LEU . 10.4 mm -67.63 108.09 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 109.377 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.567 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.7 pp -106.14 169.45 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.491 ' O ' HD12 ' A' ' 11' ' ' ILE . 48.4 mt-10 -73.72 124.79 26.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.33 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.48 -29.6 6.07 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.547 1.154 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.573 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 31.5 m -51.92 136.39 28.64 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.4 mtm105 -114.47 121.29 43.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 0.0 110.305 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.822 HD12 ' H ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.14 156.3 43.41 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.371 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.463 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.4 Cg_endo -74.91 108.34 2.69 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.526 1.803 . . . . 0.0 111.043 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.739 HG21 HG21 ' A' ' 48' ' ' VAL . 54.0 t -91.52 114.54 28.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.1 tp -46.84 129.33 11.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 109.358 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.559 ' HD2' ' CE2' ' A' ' 50' ' ' TYR . 16.5 ttt-85 -147.79 112.19 5.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -85.76 111.26 19.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 25' ' ' ASN . 10.2 p30 -73.23 -179.96 3.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 1.076 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -44.31 -60.5 1.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 110.273 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.506 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 36.0 m-20 -45.62 -27.42 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 24.5 t30 82.05 42.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 28' ' ' GLU . 41.2 mt-10 -105.32 107.06 17.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.432 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 7.6 p-10 -42.59 97.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' GLU . 4.6 tt0 -94.23 166.12 12.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.289 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.441 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.1 m95 -140.34 64.29 24.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.463 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 18.0 Cg_endo -75.11 156.2 42.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.522 1.801 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.524 HD12 HD11 ' A' ' 51' ' ' ILE . 0.4 OUTLIER -71.77 127.76 33.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.61 1.194 . . . . 0.0 109.346 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.636 ' HB1' ' HB ' ' A' ' 48' ' ' VAL . . . -132.82 143.17 49.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.244 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -110.98 133.52 53.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.441 1.088 . . . . 0.0 110.331 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.553 HD13 HG12 ' A' ' 48' ' ' VAL . 2.7 mm -67.72 139.31 21.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.422 HD12 ' CD2' ' A' ' 47' ' ' TYR . 34.9 mt -119.05 -46.43 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.9 144.92 20.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.385 1.053 . . . . 0.0 110.036 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.541 HG12 ' N ' ' A' ' 38' ' ' LYS . 98.7 t -106.75 167.75 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.353 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.604 ' HE2' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -159.69 -178.43 7.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -161.36 124.82 3.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.201 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.69 HD12 HD22 ' A' ' 45' ' ' LEU . 10.0 mt -128.7 77.35 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.68 49.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.989 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.27 -23.48 21.27 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.526 1.141 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.621 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -78.3 86.61 4.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 0.779 . . . . 0.0 110.31 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.589 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -71.2 129.83 39.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.69 HD22 HD12 ' A' ' 40' ' ' ILE . 0.1 OUTLIER -112.44 137.14 51.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.698 ' O ' HG22 ' A' ' 61' ' ' VAL . 8.2 m-85 -130.73 117.28 19.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.507 ' CZ ' ' HB2' ' A' ' 58' ' ' ASP . 7.4 t80 -76.1 90.25 3.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 111.029 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.739 HG21 HG21 ' A' ' 18' ' ' VAL . 21.9 m -95.81 152.89 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -124.92 115.89 21.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.614 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.674 ' CD2' HD22 ' A' ' 57' ' ' LEU . 62.7 m-85 -65.17 108.99 2.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.524 HD11 HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -91.27 104.22 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -170.4 45.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 62.33 98.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.447 ' HB3' HD12 ' A' ' 57' ' ' LEU . 0.5 OUTLIER 174.33 -165.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.54 -67.96 0.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.56 1.162 . . . . 0.0 110.275 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -75.66 86.76 2.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.167 . . . . 0.0 110.321 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.674 HD22 ' CD2' ' A' ' 50' ' ' TYR . 11.5 mt -141.02 -47.12 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.507 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -40.14 119.62 1.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -153.47 170.11 21.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.343 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -87.67 137.14 32.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 108.012 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.712 HG11 HG11 ' A' ' 18' ' ' VAL . 32.8 m -133.66 175.85 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.437 HG21 ' NH1' ' A' ' 43' ' ' ARG . 67.3 p -106.31 -172.9 2.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 110.446 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.698 ' HA ' HD12 ' A' ' 66' ' ' LEU . 4.4 t-160 -86.1 -23.99 26.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.599 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -60.24 -32.43 71.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 110.292 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.83 -29.61 25.19 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.53 1.144 . . . . 0.0 110.263 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.698 HD12 ' HA ' ' A' ' 63' ' ' HIS . 63.1 mt -64.03 113.27 3.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.246 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.405 ' C ' ' N ' ' A' ' 69' ' ' LYS . 12.1 t0 -99.17 72.12 1.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.722 HD22 HD11 ' A' ' 10' ' ' ILE . 4.0 mt -50.71 -21.88 1.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 67' ' ' ASP . 4.0 mttm -65.39 -10.32 32.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -134.51 24.74 3.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.604 HG13 HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -67.62 160.63 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 73' ' ' PHE . 17.7 mt-30 -147.18 62.75 1.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.586 1.179 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.573 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 26.0 m-85 -37.17 154.56 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.073 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 149.97 37.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.525 1.803 . . . . 0.0 110.999 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -76.85 124.33 27.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.63 126.63 5.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.135 . . . . 0.0 109.363 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -65.76 98.55 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.21 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -142.42 78.68 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.6 mmtt -89.69 133.22 34.77 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.527 1.142 . . . . 0.0 109.245 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.601 HG22 ' HD2' ' A' ' 81' ' ' PRO . 6.0 m -104.9 144.68 29.22 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.536 1.147 . . . . 0.0 110.373 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.601 ' HD2' HG22 ' A' ' 80' ' ' THR . 18.2 Cg_endo -75.05 71.42 5.04 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.514 1.797 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.2 t 76.08 121.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.018 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -65.45 177.04 12.95 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.504 1.127 . . . . 0.0 110.924 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 118.19 5.18 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.501 1.79 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.29 92.59 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.964 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.9 m -39.52 -57.83 1.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 110.015 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -168.76 81.71 0.15 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.52 0.777 . . . . 0.0 110.004 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.6 m 63.9 131.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 109.987 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.12 -172.63 13.21 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.6 144.2 10.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 0.0 110.015 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.9 p -67.9 -70.32 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . -97.37 46.91 1.63 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -37.82 -77.77 0.06 OUTLIER Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.428 ' O ' HG23 ' A' ' 11' ' ' ILE . 3.7 pt-20 -136.27 130.43 33.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.844 HD11 HD22 ' A' ' 68' ' ' LEU . 10.3 mm -69.53 110.37 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.604 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.4 pp -111.26 168.26 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.526 ' O ' HD12 ' A' ' 11' ' ' ILE . 50.7 mt-10 -72.8 124.18 24.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.36 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.36 -26.54 7.32 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.8 m -54.01 138.75 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.5 mtm105 -114.14 122.66 47.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.837 HD12 ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -149.16 153.72 38.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 107.83 2.58 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.525 1.802 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.899 HG21 HG21 ' A' ' 48' ' ' VAL . 55.7 t -89.58 110.53 21.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.102 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.421 HD11 ' OD2' ' A' ' 27' ' ' ASP . 7.2 tp -42.19 130.49 3.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.133 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -140.62 113.96 8.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.242 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 45.1 mtt180 -91.71 98.81 11.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.352 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -58.67 175.26 0.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -50.38 -47.32 56.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.469 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 7.6 m-20 -56.61 -19.77 17.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.469 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 4.2 t-20 80.71 41.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 28' ' ' GLU . 32.2 mt-10 -102.77 99.89 9.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 110.351 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.421 ' OD2' HD11 ' A' ' 19' ' ' LEU . 3.6 m-20 -47.41 95.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' GLU . 17.3 tt0 -95.54 168.35 10.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.418 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 98.8 m95 -135.67 65.27 60.44 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.2 Cg_endo -75.02 143.79 29.41 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.515 1.797 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.473 ' HA ' HD22 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -56.46 135.86 54.16 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.55 1.156 . . . . 0.0 109.252 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.706 ' HB3' HG23 ' A' ' 18' ' ' VAL . . . -138.1 149.56 46.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 7.2 tt0 -124.23 134.39 53.27 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.509 ' O ' HD23 ' A' ' 35' ' ' LEU . 7.0 mm -66.66 138.0 23.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 34' ' ' ILE . 40.6 mt -121.13 -46.44 2.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.599 1.187 . . . . 0.0 109.323 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.14 141.52 19.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.0 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.8 HG22 ' HD1' ' A' ' 46' ' ' PHE . 65.9 t -106.88 167.99 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.754 ' CD ' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -159.42 -178.37 7.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.452 1.095 . . . . 0.0 109.391 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.741 ' O ' HD13 ' A' ' 40' ' ' ILE . 0.3 OUTLIER -157.84 118.37 3.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.754 HD11 ' CD ' ' A' ' 38' ' ' LYS . 25.5 mm -124.71 92.03 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.262 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.84 46.61 11.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.966 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.85 -22.49 28.21 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.504 1.128 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.703 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -78.24 93.84 4.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.397 0.704 . . . . 0.0 110.361 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 1.7 mtmt -76.19 126.22 30.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.703 HD13 ' CD ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -104.94 153.74 21.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.803 ' CD2' HD11 ' A' ' 66' ' ' LEU . 33.8 m-85 -146.94 121.36 9.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.58 1.175 . . . . 0.0 110.991 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 58' ' ' ASP . 11.2 t80 -81.71 91.87 6.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 110.966 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.899 HG21 HG21 ' A' ' 18' ' ' VAL . 16.5 m -95.83 141.98 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.412 ' O ' HD13 ' A' ' 51' ' ' ILE . 6.1 t60 -109.21 118.8 37.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.626 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.636 ' HB2' HD22 ' A' ' 57' ' ' LEU . 38.0 m-85 -68.34 76.18 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.412 HD13 ' O ' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -45.58 98.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.359 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.78 176.78 3.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.158 . . . . 0.0 109.228 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -57.93 -175.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 54' ' ' ASN . 0.6 OUTLIER 73.86 151.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.24 27.5 8.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 110.318 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.92 80.72 1.96 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.636 HD22 ' HB2' ' A' ' 50' ' ' TYR . 5.6 mt -140.24 -157.9 0.81 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 47' ' ' TYR . 0.4 OUTLIER 63.54 109.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.227 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -158.71 160.19 36.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -80.73 150.15 29.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 107.946 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.705 HG11 HG11 ' A' ' 18' ' ' VAL . 4.5 m -144.52 -174.69 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.572 1.17 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.43 HG21 ' NH1' ' A' ' 43' ' ' ARG . 16.1 p -123.7 167.26 14.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.581 1.175 . . . . 0.0 110.406 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.575 ' HA ' HD12 ' A' ' 66' ' ' LEU . 9.3 t-160 -61.29 -16.54 46.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.599 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -64.14 -40.62 96.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.538 1.149 . . . . 0.0 110.346 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.96 -25.9 27.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.257 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.803 HD11 ' CD2' ' A' ' 46' ' ' PHE . 56.2 mt -68.32 110.9 4.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 67' ' ' ASP . 22.5 t0 -98.84 76.0 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.844 HD22 HD11 ' A' ' 10' ' ' ILE . 4.2 mt -54.94 -19.49 6.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.419 1.074 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -69.11 -8.17 42.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -134.44 18.03 3.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 109.256 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.479 HG13 HD23 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -60.23 163.42 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 109.267 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 73' ' ' PHE . 19.6 mt-30 -149.86 63.16 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.263 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.426 ' C ' ' O ' ' A' ' 72' ' ' GLN . 25.7 m-85 -35.89 153.07 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 111.064 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.85 162.94 36.55 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.527 1.804 . . . . 0.0 111.04 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -93.49 88.67 6.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -150.19 124.12 9.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.66 148.49 27.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.3 -61.56 1.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.412 1.07 . . . . 0.0 109.274 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.2 tttm -118.55 127.98 54.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.5 p -40.73 100.53 0.22 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.432 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.9 58.63 4.88 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.446 1.761 . . . . 0.0 111.079 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.02 -71.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.031 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -177.01 157.53 22.6 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 166.5 29.08 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.493 1.786 . . . . 0.0 111.074 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.82 91.44 2.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.522 1.139 . . . . 0.0 109.984 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.4 p -172.13 148.41 2.19 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.476 1.11 . . . . 0.0 110.061 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.509 1.13 . . . . 0.0 110.96 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.69 105.23 3.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.68 156.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.998 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.02 -75.42 0.26 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.541 1.151 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 m -41.85 161.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 109.95 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.4 p -113.29 161.87 16.71 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.392 1.057 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 39.56 43.51 2.21 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -37.76 -77.64 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.48 ' O ' HG23 ' A' ' 11' ' ' ILE . 4.5 pt-20 -136.58 130.41 32.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 0.758 . . . . 0.0 110.354 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.849 HD11 HD22 ' A' ' 68' ' ' LEU . 7.5 mm -67.37 109.39 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.626 HD12 ' N ' ' A' ' 12' ' ' GLU . 1.7 pp -108.73 176.88 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.626 ' N ' HD12 ' A' ' 11' ' ' ILE . 64.4 mt-10 -80.16 123.18 27.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 110.333 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 117.63 -28.09 7.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.149 . . . . 0.0 111.033 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.56 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 6.1 m -51.72 140.3 19.3 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.485 ' CD ' HD11 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -115.34 120.22 38.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.822 HD12 ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -147.27 152.48 42.88 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 109.265 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.443 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.1 Cg_endo -75.04 111.63 3.37 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.583 1.833 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.941 HG11 HG11 ' A' ' 61' ' ' VAL . 55.6 t -89.53 112.13 23.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.528 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 2.4 tp -43.78 148.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.87 100.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.417 1.073 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.34 143.9 46.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.576 1.172 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -78.76 -179.66 6.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.28 -17.57 8.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.092 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 3.3 m-20 -86.99 -8.84 56.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.248 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 9.6 t30 81.86 26.16 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 28' ' ' GLU . 23.7 mt-10 -92.13 87.63 6.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.469 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 19.2 m-20 -41.88 100.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 26' ' ' GLU . 11.0 tt0 -88.47 168.67 12.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.196 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.528 ' CH2' ' HB2' ' A' ' 19' ' ' LEU . 97.8 m95 -137.58 64.97 46.48 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.443 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.0 152.71 41.1 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.585 1.834 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.485 HD11 ' CD ' ' A' ' 15' ' ' ARG . 0.4 OUTLIER -66.74 132.98 49.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.539 ' HB3' HG23 ' A' ' 18' ' ' VAL . . . -138.14 140.96 40.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 12.2 tt0 -111.76 134.56 53.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.731 ' O ' HD23 ' A' ' 35' ' ' LEU . 2.2 mm -68.41 148.74 11.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.731 HD23 ' O ' ' A' ' 34' ' ' ILE . 37.4 mt -126.93 -47.31 1.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.243 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.22 143.87 16.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.013 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.588 HG22 ' HD2' ' A' ' 46' ' ' PHE . 60.2 t -107.06 168.4 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.941 ' HE3' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -160.16 179.77 8.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.415 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.8 OUTLIER -155.19 122.26 5.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.941 HD11 ' HE3' ' A' ' 38' ' ' LYS . 91.4 mt -143.77 118.26 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 109.365 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 54.44 42.55 31.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.999 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.16 1.93 57.66 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.468 1.105 . . . . 0.0 110.957 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.649 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -98.57 97.62 8.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 110.351 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -72.59 127.22 31.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.649 HD13 ' CD ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -104.61 149.19 25.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.368 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.588 ' HD2' HG22 ' A' ' 37' ' ' VAL . 27.3 m-85 -142.86 113.9 7.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 111.049 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.495 ' CZ ' ' HB3' ' A' ' 58' ' ' ASP . 4.7 t80 -77.0 91.22 3.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.098 . . . . 0.0 110.987 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.797 HG21 HG21 ' A' ' 18' ' ' VAL . 11.4 m -95.64 149.51 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.452 ' HB2' HD11 ' A' ' 35' ' ' LEU . 21.6 t60 -116.29 115.46 25.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.658 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -65.38 118.18 9.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.478 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -107.68 129.7 61.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -173.77 -71.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.59 1.181 . . . . 0.0 109.351 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -148.89 69.18 1.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 173.45 -165.53 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.582 1.176 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.75 32.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.304 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.94 52.48 0.63 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.7 mt -124.27 55.46 1.3 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 109.386 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 47' ' ' TYR . 2.6 m-20 -90.61 123.89 34.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -156.94 140.54 15.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 110.295 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.444 ' CD1' ' CD1' ' A' ' 47' ' ' TYR . 35.7 m95 -76.89 144.16 39.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 107.988 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.941 HG11 HG11 ' A' ' 18' ' ' VAL . 23.5 m -130.69 -172.04 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.2 p -114.78 164.27 14.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.415 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.735 ' HA ' HD12 ' A' ' 66' ' ' LEU . 3.3 t-160 -68.14 -10.03 51.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.602 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -74.95 -38.98 61.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.266 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -78.85 -31.7 45.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.735 HD12 ' HA ' ' A' ' 63' ' ' HIS . 31.3 mt -61.92 102.17 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 67' ' ' ASP . 13.2 t0 -89.3 78.41 7.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.849 HD22 HD11 ' A' ' 10' ' ' ILE . 1.7 mt -56.87 -18.15 12.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -67.55 -9.43 42.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.352 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.1 mttp -134.31 17.97 3.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.626 HG13 HD23 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -59.07 161.6 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.583 1.177 . . . . 0.0 109.26 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 73' ' ' PHE . 18.7 mt-30 -148.62 62.95 1.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.56 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 26.5 m-85 -36.58 153.35 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 148.99 36.35 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.521 1.8 . . . . 0.0 111.073 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.79 134.09 56.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.359 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -163.22 167.27 22.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.75 98.96 11.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -162.1 -62.23 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -93.24 87.31 5.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.751 HG21 ' HB2' ' A' ' 85' ' ' SER . 7.3 t -56.96 145.85 62.36 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 80' ' ' THR . 18.3 Cg_endo -74.98 87.38 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.473 1.775 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.59 135.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.029 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 132.28 145.28 5.46 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.129 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 73.86 4.18 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.504 1.791 . . . . 0.0 111.023 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.751 ' HB2' HG21 ' A' ' 80' ' ' THR . 0.4 OUTLIER -113.54 154.52 26.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.2 t -149.51 97.45 2.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.6 p -93.04 163.1 13.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.418 0.716 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.16 146.77 5.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.001 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.41 -179.45 40.96 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.73 167.57 7.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.76 . . . . 0.0 110.054 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.7 t -145.12 -70.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.999 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.04 48.42 0.46 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 110.963 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -40.21 -79.83 0.04 OUTLIER Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.444 ' O ' HG23 ' A' ' 11' ' ' ILE . 3.4 pt-20 -137.25 131.48 32.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 0.72 . . . . 0.0 110.27 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.547 HD11 HD22 ' A' ' 68' ' ' LEU . 8.1 mm -67.85 108.57 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.515 HD12 ' O ' ' A' ' 12' ' ' GLU . 1.9 pp -108.72 172.03 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.515 ' O ' HD12 ' A' ' 11' ' ' ILE . 63.6 mt-10 -74.41 123.29 24.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.48 -34.28 4.32 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.517 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 17.8 m -47.87 139.82 7.3 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -116.45 120.86 40.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.347 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.829 HD12 ' H ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -146.96 154.41 46.88 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 110.51 3.13 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.52 1.8 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.778 HG11 HG11 ' A' ' 61' ' ' VAL . 52.5 t -91.41 113.6 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.6 tp -43.0 143.08 0.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.2 ttt85 -156.32 114.36 3.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -94.38 109.71 21.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.285 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -68.14 178.2 1.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -52.98 -45.72 67.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.142 . . . . 0.0 110.336 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 33.4 m-20 -59.87 -18.09 41.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 9.3 m-20 80.06 53.58 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -112.52 112.81 24.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.433 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 15.1 p-10 -59.28 93.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -89.83 166.81 13.3 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.42 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.0 m95 -140.91 65.23 23.03 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.2 Cg_endo -75.06 150.94 38.62 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.488 1.783 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.469 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -68.66 128.74 37.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.566 ' HB1' ' HB ' ' A' ' 48' ' ' VAL . . . -133.54 146.71 51.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -113.87 135.18 54.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 110.312 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.454 ' O ' HD23 ' A' ' 35' ' ' LEU . 4.8 mm -66.56 144.47 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 34' ' ' ILE . 57.4 mt -123.96 -53.73 1.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.81 143.26 24.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.989 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.813 HG22 ' HD2' ' A' ' 46' ' ' PHE . 97.7 t -106.17 168.05 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.545 ' N ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -158.38 -178.51 7.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.267 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -160.83 122.41 3.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.692 HD12 HD22 ' A' ' 45' ' ' LEU . 8.4 mt -126.55 74.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.238 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.45 52.18 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.975 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.94 -26.02 10.67 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.613 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -77.0 85.97 3.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 0.774 . . . . 0.0 110.342 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 2.6 mtmt -72.98 126.31 29.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.692 HD22 HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -107.26 150.22 26.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.813 ' HD2' HG22 ' A' ' 37' ' ' VAL . 16.9 m-85 -143.15 126.7 16.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.133 . . . . 0.0 111.033 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -87.61 92.62 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.412 1.07 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.736 HG21 HG21 ' A' ' 18' ' ' VAL . 26.8 m -95.72 154.76 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -129.09 115.74 18.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.628 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.531 ' HD2' HD13 ' A' ' 57' ' ' LEU . 26.5 m-85 -59.35 125.64 24.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 111.073 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.469 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -108.32 31.89 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -92.92 22.29 5.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 53.1 97.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 111.049 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.451 ' O ' ' CD ' ' A' ' 55' ' ' ARG . 31.6 m120 -154.07 -59.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.426 1.079 . . . . 0.0 109.361 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.451 ' CD ' ' O ' ' A' ' 54' ' ' ASN . 0.7 OUTLIER 172.91 160.72 0.12 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.363 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.7 ttm-85 -62.39 79.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.531 HD13 ' HD2' ' A' ' 50' ' ' TYR . 0.9 OUTLIER -83.85 -76.69 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 57.54 108.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.169 . . . . 0.0 109.33 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -147.29 155.5 42.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.263 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -74.15 155.74 38.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 107.989 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.778 HG11 HG11 ' A' ' 18' ' ' VAL . 21.4 m -149.33 176.93 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.5 p -108.71 171.27 7.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 110.378 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.669 ' HA ' HD12 ' A' ' 66' ' ' LEU . 5.8 t-160 -69.9 -23.41 63.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 109.638 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -62.64 -35.04 78.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 0.0 110.33 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.429 ' HB3' HG13 ' A' ' 18' ' ' VAL . 0.5 OUTLIER -79.97 -32.32 39.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.716 ' HB3' HD22 ' A' ' 16' ' ' LEU . 27.8 mt -66.0 121.53 15.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -107.86 77.58 1.13 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.437 1.086 . . . . 0.0 109.273 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.783 ' N ' HD23 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -55.04 -18.24 4.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.392 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -63.82 -11.56 28.24 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.01 10.51 3.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.503 HD11 ' CD1' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -45.56 167.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.434 ' N ' HG23 ' A' ' 71' ' ' ILE . 27.9 mt-30 -154.72 63.96 0.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 110.288 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.517 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 31.7 m-85 -41.51 153.46 0.26 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 148.85 35.68 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.479 1.779 . . . . 0.0 110.951 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.9 tttm -93.57 84.8 4.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.25 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.68 149.16 26.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -93.22 109.04 20.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -135.65 154.9 51.15 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -78.16 155.77 30.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.4 t -101.51 146.29 31.96 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.335 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 120.19 5.97 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.435 1.755 . . . . 0.0 111.028 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.9 p -134.82 141.4 46.39 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.142 . . . . 0.0 110.075 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -144.43 166.29 27.29 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 110.953 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 157.74 42.5 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.476 1.777 . . . . 0.0 110.974 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.7 t -126.82 146.06 50.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.986 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 26.2 p -97.32 157.58 15.9 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.511 1.132 . . . . 0.0 109.939 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.469 1.106 . . . . 0.0 110.921 179.958 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.35 94.03 4.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.778 . . . . 0.0 110.012 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -127.1 -51.07 1.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.74 -107.8 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.533 1.146 . . . . 0.0 111.018 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 76.94 148.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 110.002 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -146.85 106.34 3.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.061 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.16 -96.35 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 6' ' ' SER . . . 91.47 -71.56 1.82 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -138.2 125.13 21.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 110.345 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.949 HD11 HD22 ' A' ' 68' ' ' LEU . 13.3 mm -78.11 115.56 20.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.413 1.07 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.592 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.4 pp -115.9 168.36 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.561 ' O ' HD12 ' A' ' 11' ' ' ILE . 63.5 mt-10 -72.32 123.92 24.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 117.97 -23.59 9.27 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.2 m -56.42 138.47 51.23 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.2 mtm105 -114.44 121.13 42.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.322 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.83 HD12 ' H ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.61 155.47 41.75 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 107.37 2.47 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.527 1.804 . . . . 0.0 111.034 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.745 HG11 HG11 ' A' ' 61' ' ' VAL . 76.4 t -89.77 110.16 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 tp -42.88 139.55 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -154.43 114.69 3.88 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.425 1.078 . . . . 0.0 110.258 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 27' ' ' ASP . 24.5 mtt-85 -92.43 103.22 15.67 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.466 1.104 . . . . 0.0 110.266 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -65.27 178.68 0.86 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -50.67 -46.52 58.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.252 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 70.2 m-20 -54.53 -23.4 16.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.479 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 4.4 t30 80.5 40.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 28' ' ' GLU . 38.0 mt-10 -106.03 108.31 19.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.326 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.446 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 7.8 p-10 -48.52 95.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 26' ' ' GLU . 6.9 tt0 -91.81 163.64 13.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.427 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 96.1 m95 -137.32 64.91 48.16 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 108.032 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -74.95 140.68 25.89 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.565 1.824 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.47 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -57.42 127.78 33.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.721 ' HB3' HG23 ' A' ' 18' ' ' VAL . . . -131.64 145.39 51.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.095 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -114.37 134.51 54.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.481 HD13 HG12 ' A' ' 48' ' ' VAL . 6.3 mm -67.76 135.53 28.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.472 HD12 ' CD2' ' A' ' 47' ' ' TYR . 34.9 mt -115.6 -48.95 2.75 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.596 1.185 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.82 150.85 30.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 110.003 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.774 HG22 ' HD2' ' A' ' 46' ' ' PHE . 89.3 t -114.78 167.95 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.543 ' N ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -159.19 -176.81 6.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -163.48 124.36 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.681 HD12 HD22 ' A' ' 45' ' ' LEU . 6.9 mt -127.43 74.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 72.34 46.89 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.013 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.49 -26.36 20.18 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.533 1.145 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.617 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -76.32 85.6 3.1 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.521 0.777 . . . . 0.0 110.301 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.584 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -71.81 128.05 34.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.681 HD22 HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -109.87 139.1 45.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.774 ' HD2' HG22 ' A' ' 37' ' ' VAL . 21.7 m-85 -132.83 124.06 27.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 0.0 110.975 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 58' ' ' ASP . 11.4 t80 -84.34 95.82 8.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.704 HG21 HG21 ' A' ' 18' ' ' VAL . 32.4 m -97.85 154.26 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -129.04 116.44 19.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 109.547 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.669 ' HB2' HD13 ' A' ' 57' ' ' LEU . 28.0 m-85 -60.96 113.73 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 111.043 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.47 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -93.29 104.69 15.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -157.77 -69.2 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.153 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.6 t80 178.81 100.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.155 . . . . 0.0 111.06 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 167.23 -168.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.08 -68.69 0.76 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 110.253 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -72.85 92.95 1.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.669 HD13 ' HB2' ' A' ' 50' ' ' TYR . 15.9 mt -146.11 -47.32 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 14.2 p30 -39.88 118.95 0.93 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.245 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -149.25 169.55 20.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -86.63 144.71 27.03 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.745 HG11 HG11 ' A' ' 18' ' ' VAL . 32.9 m -138.82 -174.48 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 51.6 p -119.74 176.72 5.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.435 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.645 ' HA ' HD12 ' A' ' 66' ' ' LEU . 19.2 t-160 -73.35 -15.55 61.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.59 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -65.69 -42.46 91.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.259 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.97 -20.72 37.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' ' 63' ' ' HIS . 77.1 mt -72.8 102.39 3.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 67' ' ' ASP . 21.7 t0 -91.54 75.27 5.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.219 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.949 HD22 HD11 ' A' ' 10' ' ' ILE . 3.8 mt -54.53 -19.64 6.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -68.31 -8.33 38.77 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.7 mttp -134.14 19.04 3.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.347 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.507 HG13 HD23 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -62.6 163.6 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 73' ' ' PHE . 20.4 mt-30 -149.73 63.37 1.0 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 72' ' ' GLN . 25.5 m-85 -36.15 153.41 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 111.063 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 164.55 33.19 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.551 1.817 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -115.38 87.3 2.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 109.188 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -153.0 92.2 1.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.439 1.087 . . . . 0.0 109.259 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 54.21 87.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -154.42 71.2 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.437 1.085 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.7 tttm -120.77 106.25 11.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.467 ' CG2' ' HD2' ' A' ' 81' ' ' PRO . 50.8 m -130.32 143.55 49.66 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.365 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.467 ' HD2' ' CG2' ' A' ' 80' ' ' THR . 18.6 Cg_endo -74.94 68.75 5.65 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 0.0 110.998 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 95.4 p -89.9 138.1 31.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.034 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -93.22 156.06 22.6 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.48 1.112 . . . . 0.0 111.027 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 101.54 1.48 Allowed 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.6 t -82.67 -58.37 2.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.55 1.156 . . . . 0.0 109.986 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.6 t 78.31 140.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 109.967 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.477 1.111 . . . . 0.0 111.025 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -152.77 102.24 2.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 0.801 . . . . 0.0 109.957 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.3 p -119.52 156.41 30.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.446 1.091 . . . . 0.0 110.012 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.22 84.43 0.05 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.1 t -177.18 123.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 110.041 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.4 108.35 20.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 110.024 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.9 47.04 62.73 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -40.6 -75.84 0.11 Allowed Glycine 0 CA--C 1.529 0.944 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.423 ' O ' HG23 ' A' ' 11' ' ' ILE . 4.1 pt-20 -136.32 130.22 32.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 0.737 . . . . 0.0 110.338 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.858 HD11 HD22 ' A' ' 68' ' ' LEU . 10.4 mm -69.11 109.14 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.612 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.5 pp -108.57 168.97 3.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.513 ' O ' HD12 ' A' ' 11' ' ' ILE . 45.0 mt-10 -74.0 126.57 30.78 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.56 -28.23 7.57 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.448 1.092 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.584 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 13.2 m -52.48 138.43 27.63 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.9 mtm105 -112.69 121.59 45.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.821 HD12 ' H ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.68 153.24 39.2 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 107.4 2.47 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.487 1.783 . . . . 0.0 111.037 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.826 HG21 HG11 ' A' ' 48' ' ' VAL . 51.6 t -91.19 116.48 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.9 tp -42.81 152.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -165.79 101.63 0.68 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.1 mtt85 -87.23 105.41 17.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.452 1.095 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -67.48 178.76 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -49.49 -52.45 29.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 110.247 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.483 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 49.6 m-20 -51.95 -23.13 4.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.452 1.095 . . . . 0.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 26.9 t30 81.32 48.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 28' ' ' GLU . 31.4 mt-10 -107.88 107.97 18.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.438 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 7.4 p-10 -53.72 93.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 26' ' ' GLU . 6.5 tt0 -92.43 163.11 13.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.424 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 96.4 m95 -137.17 65.04 49.77 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 108.022 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.424 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -75.01 148.54 35.38 Favored 'Trans proline' 0 C--N 1.358 1.07 0 O-C-N 124.493 1.786 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.545 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -59.64 129.89 44.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.768 ' HB1' ' HB ' ' A' ' 48' ' ' VAL . . . -136.04 136.2 40.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.077 . . . . 0.0 109.31 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -109.76 134.12 52.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.117 . . . . 0.0 110.234 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.5 mm -65.31 135.62 28.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 48.1 mt -115.33 -49.81 2.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.26 148.16 26.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.986 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.662 HG22 ' HD2' ' A' ' 46' ' ' PHE . 90.0 t -110.34 167.57 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.533 ' N ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -159.26 -178.96 7.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.206 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -161.22 124.92 3.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.085 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.704 HD12 HD22 ' A' ' 45' ' ' LEU . 12.3 mt -128.83 72.19 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.8 52.51 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.99 -24.23 14.05 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.135 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.616 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -79.33 86.33 5.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 110.293 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 2.8 mtmt -72.9 128.55 35.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.704 HD22 HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -110.21 142.28 41.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.662 ' HD2' HG22 ' A' ' 37' ' ' VAL . 13.4 m-85 -135.76 127.28 28.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 58' ' ' ASP . 6.9 t80 -87.27 97.6 10.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.45 1.094 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.826 HG11 HG21 ' A' ' 18' ' ' VAL . 31.4 m -97.44 164.25 2.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.433 ' O ' HD13 ' A' ' 51' ' ' ILE . 9.2 t60 -136.68 115.99 12.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.665 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -65.86 73.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 111.056 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.545 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -40.27 108.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.525 1.141 . . . . 0.0 109.257 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 176.39 113.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.103 . . . . 0.0 109.28 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -49.67 122.68 6.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 111.025 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -172.52 -77.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.18 28.12 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.344 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.77 97.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.142 . . . . 0.0 110.24 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.46 107.2 18.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.262 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 47' ' ' TYR . 4.4 m-20 -129.74 127.89 41.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -161.38 157.05 24.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.446 ' CE3' ' HB3' ' A' ' 45' ' ' LEU . 85.3 m95 -75.46 158.84 32.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 108.018 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.713 HG11 HG11 ' A' ' 18' ' ' VAL . 34.2 m -148.58 -171.65 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.6 p -123.53 167.8 13.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.423 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.686 ' HA ' HD12 ' A' ' 66' ' ' LEU . 4.2 t60 -61.49 -35.68 78.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.182 . . . . 0.0 109.623 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -50.66 -39.22 50.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.24 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 35.1 mtt85 -78.53 -31.71 47.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.687 HD23 HG22 ' A' ' 18' ' ' VAL . 25.3 mt -68.43 111.42 4.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.373 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.404 ' C ' ' N ' ' A' ' 69' ' ' LYS . 19.2 t0 -96.25 73.41 2.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.858 HD22 HD11 ' A' ' 10' ' ' ILE . 2.9 mt -50.71 -22.18 1.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 67' ' ' ASP . 13.7 mttt -64.75 -10.88 30.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -131.34 14.19 5.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.544 HG13 HD23 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -54.78 165.72 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 73' ' ' PHE . 25.1 mt-30 -154.08 61.94 0.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.584 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 31.0 m-85 -37.2 152.77 0.11 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.398 1.061 . . . . 0.0 110.98 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 164.91 32.41 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.472 1.775 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -100.86 77.22 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -148.59 83.96 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 47.12 92.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -95.23 138.44 32.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.18 104.45 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 64.3 p -109.74 156.93 38.93 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.579 1.174 . . . . 0.0 110.425 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 158.55 42.26 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.509 1.794 . . . . 0.0 111.013 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.9 t -60.29 -52.3 65.87 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.415 1.072 . . . . 0.0 110.054 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.401 ' HA2' ' HD3' ' A' ' 84' ' ' PRO . . . 98.33 142.86 13.8 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.14 . . . . 0.0 110.974 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.401 ' HD3' ' HA2' ' A' ' 83' ' ' GLY . 18.3 Cg_endo -74.97 133.95 17.27 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.531 1.806 . . . . 0.0 111.043 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.0 t 61.03 123.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.973 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 86.1 p -179.37 88.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.055 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.09 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 m 66.46 103.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 0.722 . . . . 0.0 109.949 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.3 p -167.52 171.22 10.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.966 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.56 155.41 24.04 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.2 m -119.09 159.1 24.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 0.75 . . . . 0.0 110.06 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 8' ' ' GLY . 1.6 m -82.12 140.42 33.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.995 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.99 -96.05 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 6' ' ' SER . . . 98.16 -74.83 0.59 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -138.23 126.16 22.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 0.77 . . . . 0.0 110.32 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.897 HD11 HD22 ' A' ' 68' ' ' LEU . 13.2 mm -77.21 114.31 17.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 109.185 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.64 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.3 pp -116.31 169.14 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.579 ' N ' HD12 ' A' ' 11' ' ' ILE . 76.3 mt-10 -73.19 123.44 23.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.41 -27.64 6.86 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.412 1.07 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.532 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 19.6 m -54.28 137.32 41.68 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.7 mtm105 -113.24 121.69 45.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.832 HD12 ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -149.11 154.53 39.44 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.27 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 113.92 3.9 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.478 1.778 . . . . 0.0 110.947 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.905 HG21 HG21 ' A' ' 48' ' ' VAL . 69.5 t -94.9 111.05 24.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.42 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 0.6 OUTLIER -57.26 133.71 55.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.556 ' HD3' ' CD1' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -157.29 72.44 0.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.336 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 20' ' ' ARG . 88.1 mtt180 -37.28 138.09 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 25' ' ' ASN . 7.0 p30 -99.42 179.79 4.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.434 ' C ' ' N ' ' A' ' 25' ' ' ASN . 2.2 tt0 -43.55 -62.8 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 110.31 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.49 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 92.1 m-20 -43.3 -27.82 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 4.5 t30 81.6 44.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -110.88 102.3 10.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 110.243 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 5.8 p-10 -40.39 104.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -96.82 172.8 7.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.429 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 98.0 m95 -149.2 64.7 7.56 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 107.995 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.429 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -74.99 146.04 32.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.445 1.761 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.662 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -61.24 131.04 49.13 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.574 1.171 . . . . 0.0 109.348 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.753 ' HB3' HG23 ' A' ' 18' ' ' VAL . . . -135.96 145.37 46.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -116.66 134.96 54.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.459 HD13 HG12 ' A' ' 48' ' ' VAL . 5.0 mm -67.67 138.79 22.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.432 HD12 ' CD2' ' A' ' 47' ' ' TYR . 47.5 mt -118.5 -46.41 2.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.72 147.97 23.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.598 HG22 ' HD2' ' A' ' 46' ' ' PHE . 64.1 t -110.5 168.46 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.963 ' HE3' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -162.35 -176.7 5.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.408 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.8 OUTLIER -161.33 122.39 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.963 HD11 ' HE3' ' A' ' 38' ' ' LYS . 83.2 mt -140.11 107.1 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.11 54.26 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.006 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 64.11 10.48 40.72 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.429 1.081 . . . . 0.0 111.017 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.737 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -107.98 101.22 10.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.52 0.776 . . . . 0.0 110.327 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.588 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -77.81 130.16 36.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.354 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.737 HD13 ' CD ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -107.39 153.12 23.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.643 ' O ' HG22 ' A' ' 61' ' ' VAL . 26.7 m-85 -147.04 116.33 6.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.952 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 58' ' ' ASP . 9.9 t80 -79.44 94.18 5.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.976 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.905 HG21 HG21 ' A' ' 18' ' ' VAL . 18.7 m -96.62 158.32 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.412 1.07 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -127.93 118.21 23.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.626 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.556 ' CD1' ' HD3' ' A' ' 20' ' ' ARG . 46.0 m-85 -65.6 96.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.662 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -79.89 84.78 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -179.21 114.68 0.06 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 109.374 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 49.44 -178.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 61.85 149.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -60.14 -70.55 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.72 144.43 11.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 110.267 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -125.41 -78.3 0.6 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 47' ' ' TYR . 2.5 m-20 65.85 120.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -157.49 159.32 37.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.344 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.439 ' CE3' ' HB3' ' A' ' 45' ' ' LEU . 92.8 m95 -81.08 143.68 32.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 107.946 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.788 HG11 HG11 ' A' ' 18' ' ' VAL . 34.8 m -138.93 177.65 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 53.2 p -110.14 176.83 4.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.349 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.645 ' HA ' HD12 ' A' ' 66' ' ' LEU . 4.7 t-160 -74.89 -19.01 60.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 109.644 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -61.91 -38.9 90.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 110.352 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -84.78 -22.41 29.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' ' 63' ' ' HIS . 76.5 mt -71.27 98.11 1.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 67' ' ' ASP . 19.4 t0 -85.55 75.59 10.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.897 HD22 HD11 ' A' ' 10' ' ' ILE . 4.1 mt -55.01 -18.98 5.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.237 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -68.64 -8.03 38.51 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -133.39 17.42 4.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.49 HG13 HD23 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -59.35 161.95 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 73' ' ' PHE . 7.0 mt-30 -149.1 61.77 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.532 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 28.2 m-85 -36.01 153.35 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.169 . . . . 0.0 111.031 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 157.31 43.01 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.5 1.79 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -100.08 74.45 1.78 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -148.32 64.79 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -158.52 146.19 18.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.77 87.02 4.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.363 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -55.99 107.66 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.445 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 9.1 t -121.74 145.17 42.51 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.375 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 80' ' ' THR . 18.3 Cg_endo -75.0 114.68 4.08 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.468 1.773 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.54 169.42 17.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.971 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -83.71 -175.94 51.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 177.38 8.68 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.442 1.759 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.4 t -126.17 140.33 52.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.89 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.3 t -113.56 -58.57 2.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.034 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.563 1.164 . . . . 0.0 111.035 179.925 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t 48.6 88.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 109.995 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.9 p -121.7 97.27 5.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.026 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.16 -157.24 24.0 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.3 t -170.49 154.33 4.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 0.796 . . . . 0.0 110.028 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.1 104.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.941 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.8 46.77 93.02 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.469 1.106 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -38.96 -76.84 0.07 OUTLIER Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -135.89 130.07 33.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 0.0 110.292 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.79 HD11 HD22 ' A' ' 68' ' ' LEU . 10.7 mm -70.59 108.39 2.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.746 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.4 pp -108.52 166.75 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.404 ' N ' HD12 ' A' ' 11' ' ' ILE . 59.9 mt-10 -70.83 124.51 24.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.43 -29.4 5.7 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.547 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 18.9 m -52.86 137.63 31.65 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -114.67 120.73 41.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.826 HD12 ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -149.46 155.71 39.2 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.1 Cg_endo -75.02 118.18 5.17 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.541 1.811 . . . . 0.0 110.992 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 1.064 HG21 HG21 ' A' ' 48' ' ' VAL . 70.2 t -97.01 107.63 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 18' ' ' VAL . 9.8 tp -39.83 151.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.402 1.064 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.424 ' NH1' ' HA ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -169.87 111.45 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.219 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.7 mtt85 -88.81 101.57 14.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.409 1.068 . . . . 0.0 110.312 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 25' ' ' ASN . 22.8 m-80 -59.79 179.56 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -50.95 -44.25 60.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.357 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 5.9 m-20 -60.14 -21.01 61.09 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.51 1.132 . . . . 0.0 109.315 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.462 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 1.5 t-20 79.53 40.34 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -103.22 104.53 14.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.44 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 5.0 p-10 -47.3 102.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -96.27 171.52 8.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.266 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.426 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.5 m95 -146.49 64.68 9.73 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 107.991 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.467 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -74.95 147.53 34.28 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.476 1.777 . . . . 0.0 111.03 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.454 ' HA ' HD22 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -65.86 133.77 51.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.08 . . . . 0.0 109.283 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.581 ' HB3' HG23 ' A' ' 18' ' ' VAL . . . -138.31 149.41 45.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.366 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -117.63 131.42 56.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 110.309 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.762 HD13 HG12 ' A' ' 48' ' ' VAL . 4.7 mm -65.83 136.55 26.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.363 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 39.2 mt -117.73 -43.34 2.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.88 147.88 18.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.037 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.622 HG22 ' HD2' ' A' ' 46' ' ' PHE . 66.1 t -110.34 168.93 3.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.607 1.192 . . . . 0.0 109.227 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.56 ' N ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -159.43 -178.23 6.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -162.82 124.05 2.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.464 1.102 . . . . 0.0 109.362 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.646 HD12 HD22 ' A' ' 45' ' ' LEU . 6.1 mt -127.5 77.14 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.32 43.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.974 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.38 -29.54 11.7 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.526 1.141 . . . . 0.0 110.958 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.575 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -72.59 85.58 1.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.595 0.821 . . . . 0.0 110.316 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -72.6 125.49 27.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.646 HD22 HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -108.69 141.34 40.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.622 ' HD2' HG22 ' A' ' 37' ' ' VAL . 14.7 m-85 -134.31 121.04 20.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 58' ' ' ASP . 6.9 t80 -80.36 88.32 5.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.064 HG21 HG21 ' A' ' 18' ' ' VAL . 14.5 m -95.49 138.19 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.385 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.474 ' CE1' HD22 ' A' ' 57' ' ' LEU . 28.9 t60 -110.15 115.74 30.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.621 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -60.22 133.94 56.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.573 1.171 . . . . 0.0 111.002 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.32 13.38 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -137.54 121.03 17.15 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.553 1.158 . . . . 0.0 109.239 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 10.7 t80 57.6 114.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.398 1.061 . . . . 0.0 110.968 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 51.4 p-10 -63.88 161.47 15.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 178.42 -48.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.334 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.06 -47.7 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.355 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.474 HD22 ' CE1' ' A' ' 49' ' ' HIS . 62.9 mt 65.28 124.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.579 1.174 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 47' ' ' TYR . 29.4 m-20 54.76 102.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -152.75 143.71 22.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 110.376 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 90.3 m95 -74.17 141.52 45.52 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.521 1.138 . . . . 0.0 107.945 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.752 HG11 HG11 ' A' ' 18' ' ' VAL . 6.1 m -143.05 168.57 13.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.57 1.169 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.9 p -96.26 -159.05 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.413 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.637 ' HA ' HD12 ' A' ' 66' ' ' LEU . 6.2 t-160 -100.14 -11.05 20.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.623 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -70.01 -34.13 72.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.302 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -85.1 -27.46 26.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 110.26 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' A' ' 63' ' ' HIS . 74.4 mt -65.23 112.38 3.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.402 ' C ' ' N ' ' A' ' 69' ' ' LYS . 8.8 t0 -100.03 73.35 1.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.348 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.79 HD22 HD11 ' A' ' 10' ' ' ILE . 3.9 mt -51.44 -21.37 2.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 67' ' ' ASP . 2.5 mttt -66.76 -9.64 38.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.592 1.182 . . . . 0.0 109.257 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -133.59 21.62 3.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.585 HG13 HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -65.19 167.14 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' PHE . 37.1 mt-30 -154.31 61.87 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.286 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.547 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 29.2 m-85 -36.5 152.58 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 75' ' ' LYS . 18.2 Cg_endo -75.05 148.18 34.75 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.505 1.792 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 74' ' ' PRO . 22.2 tttm 39.56 62.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -149.48 141.99 24.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -159.67 99.34 1.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -107.22 70.63 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.19 178.51 1.71 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.1 p -57.16 157.75 11.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.423 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 124.63 8.74 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.496 1.787 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 38.0 p -127.34 -61.72 1.13 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.399 1.062 . . . . 0.0 109.977 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 147.22 103.27 0.33 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.456 1.098 . . . . 0.0 110.952 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 176.33 10.07 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.423 1.749 . . . . 0.0 110.989 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.09 100.68 5.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.7 p 54.8 168.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.044 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.467 1.104 . . . . 0.0 110.923 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.077 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 t 61.34 167.68 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 0.789 . . . . 0.0 110.023 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.7 p -139.37 159.5 42.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.98 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.34 101.23 1.54 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.519 1.137 . . . . 0.0 110.95 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -173.24 112.4 0.21 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 0.745 . . . . 0.0 110.022 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.62 -70.92 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.422 1.076 . . . . 0.0 110.004 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . -125.92 44.15 1.28 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -37.71 -77.95 0.05 OUTLIER Glycine 0 CA--C 1.531 1.077 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 11' ' ' ILE . 4.2 pt-20 -136.47 131.3 33.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 0.796 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.684 HD11 HD22 ' A' ' 68' ' ' LEU . 8.2 mm -67.21 103.66 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.25 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.499 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.9 pp -99.6 170.06 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.456 ' O ' HD12 ' A' ' 11' ' ' ILE . 47.3 mt-10 -75.52 123.14 24.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.583 1.177 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.06 -33.73 4.28 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.565 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 17.6 m -47.17 139.66 5.85 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.7 mtm105 -115.98 121.31 41.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.824 HD12 ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -147.4 155.44 46.0 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.459 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.3 Cg_endo -74.98 107.85 2.58 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.452 1.764 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.686 HG11 HG21 ' A' ' 48' ' ' VAL . 56.6 t -92.08 117.19 34.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.507 HD11 ' OD1' ' A' ' 27' ' ' ASP . 14.8 tp -43.07 130.6 4.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.343 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.0 ttt-85 -145.74 96.63 2.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.25 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.9 mtm-85 -59.26 164.02 3.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.575 1.172 . . . . 0.0 110.248 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -120.97 179.9 4.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -61.92 -16.77 53.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.49 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 2.1 m-20 -99.48 -8.07 25.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 2.2 t-20 80.83 30.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 28' ' ' GLU . 8.4 mt-10 -85.83 100.89 12.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.507 ' OD1' HD11 ' A' ' 19' ' ' LEU . 4.1 m-20 -52.31 92.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' GLU . 13.4 tt0 -86.23 169.23 13.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.363 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.403 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 95.8 m95 -140.86 66.08 25.42 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 107.984 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.459 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.03 154.73 42.57 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.577 1.83 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.481 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.6 OUTLIER -67.48 127.87 34.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.335 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.604 ' HB3' HG23 ' A' ' 18' ' ' VAL . . . -132.17 142.94 49.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -113.03 140.65 47.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.348 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.497 ' O ' HD23 ' A' ' 35' ' ' LEU . 3.3 mm -73.04 143.68 13.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.497 HD23 ' O ' ' A' ' 34' ' ' ILE . 35.8 mt -124.46 -49.38 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.57 144.05 21.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.072 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.813 HG22 ' HD2' ' A' ' 46' ' ' PHE . 86.3 t -106.78 168.16 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.613 1.196 . . . . 0.0 109.294 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.547 ' N ' HG12 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -157.61 -178.31 7.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.243 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -161.03 124.28 3.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.692 HD12 HD22 ' A' ' 45' ' ' LEU . 15.9 mt -129.11 73.23 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 72.34 50.41 0.2 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.458 1.099 . . . . 0.0 110.041 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.84 -26.67 11.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.458 1.098 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.568 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -75.91 82.53 2.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 110.327 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 2.7 mtmt -70.73 123.61 22.32 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.692 HD22 HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -104.86 151.27 24.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.813 ' HD2' HG22 ' A' ' 37' ' ' VAL . 20.6 m-85 -143.75 123.67 13.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -81.67 93.97 6.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.173 . . . . 0.0 110.957 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.686 HG21 HG11 ' A' ' 18' ' ' VAL . 18.7 m -95.79 152.66 3.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -129.19 115.95 18.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.588 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.425 ' HD2' HD22 ' A' ' 57' ' ' LEU . 24.6 m-85 -60.83 124.47 20.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.481 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -107.56 47.45 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.01 168.49 15.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -50.11 117.67 2.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.754 ' HB3' HD11 ' A' ' 57' ' ' LEU . 0.5 OUTLIER 170.01 -160.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.255 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -152.94 151.81 30.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 110.309 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 42.63 77.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.233 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.754 HD11 ' HB3' ' A' ' 54' ' ' ASN . 3.0 mt -116.29 129.37 56.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' A' ' 57' ' ' LEU . 3.7 p-10 168.58 116.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -162.02 149.51 14.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 110.263 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -77.11 147.46 36.6 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.624 HG11 HG11 ' A' ' 18' ' ' VAL . 3.5 m -139.03 177.47 4.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.237 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 27.9 p -106.51 -159.72 0.71 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.513 1.133 . . . . 0.0 110.453 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.763 ' HA ' HD12 ' A' ' 66' ' ' LEU . 4.0 t-160 -97.78 -8.78 27.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.612 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -77.25 -36.16 54.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 110.241 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.8 mtt85 -75.76 -28.53 58.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.763 HD12 ' HA ' ' A' ' 63' ' ' HIS . 20.3 mt -67.59 129.41 39.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.413 ' C ' ' N ' ' A' ' 69' ' ' LYS . 10.2 t0 -114.71 72.45 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.684 HD22 HD11 ' A' ' 10' ' ' ILE . 1.5 mt -50.72 -21.16 1.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.241 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.413 ' N ' ' C ' ' A' ' 67' ' ' ASP . 12.5 mttt -62.82 -11.75 20.03 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -133.95 12.33 3.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.459 HG23 ' N ' ' A' ' 72' ' ' GLN . 0.3 OUTLIER -47.94 168.54 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.459 ' N ' HG23 ' A' ' 71' ' ' ILE . 4.0 mt-30 -155.43 61.04 0.62 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.565 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 31.8 m-85 -38.37 155.21 0.12 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 172.75 15.75 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.536 1.809 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.2 tttp -154.8 62.28 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.409 1.068 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.2 mttp 75.48 163.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.28 108.41 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.419 1.075 . . . . 0.0 110.276 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -150.88 131.83 14.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.249 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.6 tttm -71.7 77.11 0.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.421 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 4.8 t -46.69 136.22 7.7 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.4 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 80' ' ' THR . 18.1 Cg_endo -75.07 152.06 39.98 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.447 1.762 . . . . 0.0 110.95 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.6 m -95.59 163.79 13.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 109.972 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -160.82 151.06 21.42 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.525 1.141 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 154.64 42.83 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.422 1.749 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 95.7 p -175.84 148.93 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.956 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.4 t 65.17 126.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.996 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 p -147.33 107.87 4.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 0.785 . . . . 0.0 109.949 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 t -75.4 144.06 42.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.79 96.89 0.16 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.444 1.09 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 t -151.37 132.47 14.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 0.744 . . . . 0.0 109.961 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.2 m -113.12 117.15 31.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.036 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 39.33 41.9 1.65 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -37.87 -72.57 0.17 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -138.31 131.81 30.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 0.762 . . . . 0.0 110.312 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.708 HD11 HD22 ' A' ' 68' ' ' LEU . 11.9 mm -69.77 107.01 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.604 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.6 pp -106.4 168.54 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.406 1.066 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.459 ' N ' HD12 ' A' ' 11' ' ' ILE . 49.9 mt-10 -72.51 123.94 24.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.17 -29.26 6.03 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.523 1.139 . . . . 0.0 111.043 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.416 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 33.0 m -51.78 134.96 30.29 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.458 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 4.1 mtt180 -113.51 123.01 48.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.842 HD12 ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -149.17 154.06 38.67 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.196 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 110.37 3.1 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.453 1.765 . . . . 0.0 110.973 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.671 HG11 HG11 ' A' ' 61' ' ' VAL . 72.0 t -90.25 144.14 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.601 HD11 ' OD2' ' A' ' 27' ' ' ASP . 14.2 tp -70.74 145.47 50.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -161.76 105.55 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.232 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 26.8 mtt180 -90.04 105.52 17.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.288 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -66.39 178.52 1.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -40.17 61.49 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.459 1.1 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 4.2 m-20 -62.61 -18.07 61.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.163 . . . . 0.0 109.348 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 6.8 t30 81.82 26.85 0.18 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.411 1.069 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 28' ' ' GLU . 29.6 mt-10 -92.28 100.34 12.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.266 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.601 ' OD2' HD11 ' A' ' 19' ' ' LEU . 1.1 m-20 -46.81 95.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 26' ' ' GLU . 36.1 tt0 -87.55 152.74 21.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.601 1.188 . . . . 0.0 110.257 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.427 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 62.6 m95 -134.5 64.8 65.59 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 108.024 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -74.95 135.1 18.73 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.47 1.774 . . . . 0.0 111.066 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.458 ' CD1' ' HD3' ' A' ' 15' ' ' ARG . 0.8 OUTLIER -49.81 125.31 11.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.464 ' HB1' ' HB ' ' A' ' 48' ' ' VAL . . . -128.91 158.11 39.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -127.03 135.37 50.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.486 ' O ' HD23 ' A' ' 35' ' ' LEU . 3.0 mm -67.94 142.24 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.352 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.486 HD23 ' O ' ' A' ' 34' ' ' ILE . 28.8 mt -124.39 -47.65 1.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.7 146.64 26.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.956 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.54 HG12 ' N ' ' A' ' 38' ' ' LYS . 59.6 t -111.66 167.78 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.957 ' HE3' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -161.24 179.52 8.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.405 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 0.8 OUTLIER -156.35 122.25 4.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.253 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.957 HD11 ' HE3' ' A' ' 38' ' ' LYS . 88.7 mt -143.71 116.53 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 55.17 47.59 21.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.19 6.71 48.27 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.454 1.096 . . . . 0.0 110.951 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.662 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -104.18 101.38 11.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 0.785 . . . . 0.0 110.324 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.582 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -76.4 127.12 32.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.662 HD13 ' CD ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -105.22 145.86 30.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.378 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.582 ' CZ ' ' HB3' ' A' ' 44' ' ' LYS . 27.8 m-85 -139.6 121.55 15.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -80.82 91.53 5.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.665 HG21 HG21 ' A' ' 18' ' ' VAL . 14.8 m -96.26 155.36 3.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.772 ' CE1' HD22 ' A' ' 57' ' ' LEU . 33.9 t60 -113.85 115.13 27.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 0.0 109.592 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -63.16 88.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 111.028 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.2 mt -72.8 73.45 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.231 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -176.25 133.71 0.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.571 ' CD1' ' O ' ' A' ' 53' ' ' PHE . 6.8 p90 -37.5 125.36 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.951 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 171.83 160.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -75.72 -72.88 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 110.337 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.1 mtt85 -50.57 96.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.38 1.05 . . . . 0.0 110.276 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.772 HD22 ' CE1' ' A' ' 49' ' ' HIS . 2.1 mt -115.37 149.26 38.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 57.68 108.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -162.33 156.31 21.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.429 1.081 . . . . 0.0 110.337 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 64.4 m95 -83.05 148.15 27.71 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.671 HG11 HG11 ' A' ' 18' ' ' VAL . 29.2 m -136.94 -173.81 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.221 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 35.6 p -119.04 174.53 6.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 110.421 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.66 ' HA ' HD12 ' A' ' 66' ' ' LEU . 2.2 t-160 -68.6 -43.7 75.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.606 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.97 -32.59 6.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.0 mtt85 -82.18 -28.24 32.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 63' ' ' HIS . 50.1 mt -70.62 123.79 22.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -106.45 74.03 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.708 HD22 HD11 ' A' ' 10' ' ' ILE . 3.2 mt -53.39 -20.52 4.63 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -67.31 -9.46 41.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -135.78 25.35 3.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.547 HG13 HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -68.36 159.9 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 73' ' ' PHE . 32.8 mt-30 -145.01 63.78 1.29 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.416 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 23.7 m-85 -37.44 154.01 0.11 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 152.47 41.1 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.538 1.809 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -74.91 101.24 4.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.31 121.87 24.23 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.611 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -66.27 130.73 44.2 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.111 . . . . 0.0 110.341 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . 78.1 157.43 0.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -174.76 111.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.0 t -62.42 146.67 93.09 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.384 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 117.81 5.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.47 1.774 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.3 150.7 34.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 110.066 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 75.67 171.81 31.24 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.435 1.084 . . . . 0.0 110.981 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 164.04 34.02 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.458 1.768 . . . . 0.0 110.959 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.7 t -88.8 -85.89 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.99 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.74 -12.48 50.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.562 1.164 . . . . 0.0 110.019 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.57 -60.96 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 0.784 . . . . 0.0 110.019 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 50.4 97.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.041 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.96 -138.18 3.0 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.87 118.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 0.745 . . . . 0.0 109.955 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t -175.24 157.32 2.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.046 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . -83.03 48.71 4.09 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.546 1.154 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -37.65 -78.94 0.04 OUTLIER Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.424 ' O ' HG23 ' A' ' 11' ' ' ILE . 4.2 pt-20 -137.22 132.07 33.33 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.544 0.79 . . . . 0.0 110.333 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.733 HD11 HD22 ' A' ' 68' ' ' LEU . 9.0 mm -68.82 108.64 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.604 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.5 pp -108.13 168.2 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.371 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.469 ' N ' HD12 ' A' ' 11' ' ' ILE . 77.5 mt-10 -72.36 123.77 23.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.97 -30.03 5.81 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.424 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 20.0 m -49.89 136.19 18.62 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.4 mtm105 -114.13 120.23 39.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.143 . . . . 0.0 110.368 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.826 HD12 ' H ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -147.35 154.27 45.31 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 106.5 2.29 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.541 1.811 . . . . 0.0 110.981 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.791 HG11 HG11 ' A' ' 61' ' ' VAL . 52.5 t -89.59 113.03 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.4 tp -41.43 136.99 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -143.56 105.39 4.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -89.29 95.93 10.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' A' ' 25' ' ' ASN . 17.1 m-80 -60.74 176.59 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.42 -46.75 47.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.339 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.475 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 16.9 m-20 -57.65 -20.8 35.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 2.5 t-20 80.51 38.17 0.09 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.522 1.139 . . . . 0.0 109.354 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 28' ' ' GLU . 31.9 mt-10 -96.23 104.14 16.08 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.444 1.09 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -53.02 91.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 0.0 109.364 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' GLU . 28.4 tt0 -92.09 168.66 11.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.418 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 99.2 m95 -136.92 64.87 50.94 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 107.949 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.1 Cg_endo -75.02 144.34 30.06 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.416 1.745 . . . . 0.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.51 ' HA ' HD22 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -60.39 133.92 56.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.274 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.681 ' HB1' ' HB ' ' A' ' 48' ' ' VAL . . . -136.51 144.22 44.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -117.06 130.16 56.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.262 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.449 ' O ' HD23 ' A' ' 35' ' ' LEU . 4.4 mm -64.28 138.2 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.449 HD23 ' O ' ' A' ' 34' ' ' ILE . 35.3 mt -119.75 -45.63 2.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.29 146.53 21.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.007 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.788 HG22 ' HD2' ' A' ' 46' ' ' PHE . 87.0 t -108.05 168.01 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.544 ' N ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -159.82 -175.85 5.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.17 . . . . 0.0 109.266 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -163.99 121.86 1.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.709 ' CD1' HD22 ' A' ' 45' ' ' LEU . 3.6 mt -124.65 77.06 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.4 49.88 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.416 1.073 . . . . 0.0 110.062 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.44 -22.02 32.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.599 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -79.93 87.3 5.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 0.786 . . . . 0.0 110.303 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.59 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -72.53 126.05 28.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.709 HD22 ' CD1' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -109.14 139.54 43.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.788 ' HD2' HG22 ' A' ' 37' ' ' VAL . 20.8 m-85 -132.87 115.65 15.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.943 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 58' ' ' ASP . 6.8 t80 -75.45 99.16 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 111.053 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.681 ' HB ' ' HB1' ' A' ' 32' ' ' ALA . 10.0 m -99.97 165.7 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.439 ' O ' HD13 ' A' ' 51' ' ' ILE . 86.3 t60 -131.28 115.83 16.81 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.574 1.171 . . . . 0.0 109.636 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -69.57 73.96 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 111.054 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.496 HD11 HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -45.65 102.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.226 -179.925 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -179.03 169.94 1.5 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -79.46 118.22 21.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 169.91 -172.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.4 -78.5 0.49 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 110.374 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.506 ' O ' HD23 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -71.48 123.34 22.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.228 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.506 HD23 ' O ' ' A' ' 56' ' ' ARG . 36.3 mt -145.14 -75.81 0.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -45.07 118.66 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -161.45 160.22 29.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 90.0 m95 -79.11 152.54 30.73 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.791 HG11 HG11 ' A' ' 18' ' ' VAL . 15.9 m -146.07 -177.77 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.077 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 73.4 p -117.87 178.16 4.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 110.361 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.629 ' HA ' HD12 ' A' ' 66' ' ' LEU . 5.9 t-160 -74.56 -26.18 59.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.598 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -58.35 -36.12 72.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.417 1.073 . . . . 0.0 110.272 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.423 ' NH1' ' HA ' ' A' ' 61' ' ' VAL . 0.7 OUTLIER -85.78 -23.04 27.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.29 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 63' ' ' HIS . 73.5 mt -70.71 108.54 4.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 67' ' ' ASP . 19.9 t0 -97.43 76.96 2.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.733 HD22 HD11 ' A' ' 10' ' ' ILE . 2.8 mt -56.71 -18.1 11.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -68.45 -8.8 43.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -135.16 18.64 3.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.527 HG13 HD23 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -59.78 169.17 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.435 ' N ' HG23 ' A' ' 71' ' ' ILE . 9.0 mt-30 -155.36 61.95 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.424 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 30.5 m-85 -36.46 153.21 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 154.53 42.4 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.498 1.788 . . . . 0.0 111.03 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.7 tmpt? -77.23 102.46 6.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.229 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.72 157.96 44.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -82.73 89.72 6.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -126.57 150.62 48.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.363 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -157.33 110.98 2.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.431 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 3.0 t -161.49 145.8 9.98 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.415 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 80' ' ' THR . 18.4 Cg_endo -75.02 164.02 34.14 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.461 1.769 . . . . 0.0 111.024 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.4 m -135.29 118.18 16.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.135 . . . . 0.0 109.993 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -105.86 143.5 15.72 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.451 1.094 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 143.74 29.3 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.542 1.812 . . . . 0.0 110.943 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.5 m -127.52 -52.16 1.37 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.468 1.105 . . . . 0.0 109.968 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.66 -74.28 0.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.974 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.54 1.15 . . . . 0.0 110.926 -179.96 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.39 86.86 0.81 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.46 0.741 . . . . 0.0 110.01 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.16 165.06 11.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.969 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.04 -144.99 5.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -161.89 103.89 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 110.007 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 m 52.87 98.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.052 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . 96.72 46.22 2.53 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.477 1.111 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -37.78 -76.75 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.051 -0.819 . . . . 0.0 111.051 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.415 ' O ' HG23 ' A' ' 11' ' ' ILE . 3.4 pt-20 -137.01 130.63 31.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.776 HD11 HD22 ' A' ' 68' ' ' LEU . 11.9 mm -70.08 106.28 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.597 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.5 pp -103.78 167.47 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.376 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.491 ' O ' HD12 ' A' ' 11' ' ' ILE . 78.4 mt-10 -72.47 123.67 23.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.258 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.41 -28.66 5.94 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.507 1.13 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.588 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 21.0 m -52.65 137.47 30.79 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -114.37 120.72 41.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.266 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.828 HD12 ' H ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.59 155.83 41.86 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.1 Cg_endo -75.0 107.88 2.59 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.546 1.814 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.776 HG11 HG11 ' A' ' 61' ' ' VAL . 50.8 t -89.84 112.56 24.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.517 1.135 . . . . 0.0 109.343 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 18' ' ' VAL . 8.4 tp -39.92 150.02 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -164.93 107.27 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 72.8 mtt-85 -89.77 102.76 15.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -57.35 173.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -57.51 -17.27 12.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.328 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 13.6 m-20 -81.04 -16.64 52.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.237 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 14.6 t-20 81.17 30.88 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -100.7 100.46 11.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.432 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 4.9 p-10 -48.42 108.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -100.59 172.38 7.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 110.29 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.454 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 98.1 m95 -147.78 63.54 7.73 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.481 1.113 . . . . 0.0 108.03 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.467 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -74.99 154.26 42.39 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.513 1.796 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.577 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -69.78 127.07 31.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.544 ' HB1' ' HB ' ' A' ' 48' ' ' VAL . . . -132.85 147.22 52.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.378 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -114.66 133.94 55.46 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.567 1.167 . . . . 0.0 110.304 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.484 HD13 HG12 ' A' ' 48' ' ' VAL . 6.1 mm -66.42 136.22 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 55.4 mt -115.7 -52.78 2.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.403 1.065 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.33 143.11 22.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.022 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.731 HG22 ' HD2' ' A' ' 46' ' ' PHE . 93.4 t -104.52 167.47 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.537 ' N ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -157.94 179.96 8.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.407 1.067 . . . . 0.0 109.353 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -159.6 124.45 4.01 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.705 HD12 HD22 ' A' ' 45' ' ' LEU . 11.9 mt -128.93 74.57 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.08 52.94 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.039 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.03 -25.31 10.2 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.399 1.062 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.618 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -78.33 87.61 4.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.777 . . . . 0.0 110.323 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 2.3 mtmt -74.16 130.82 40.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.705 HD22 HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -112.36 145.59 39.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.731 ' HD2' HG22 ' A' ' 37' ' ' VAL . 10.1 m-85 -139.0 119.88 14.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 111.03 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -78.86 91.19 4.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.679 HG21 HG21 ' A' ' 18' ' ' VAL . 6.4 m -96.85 153.89 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.36 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -126.93 116.28 20.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 109.614 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -62.41 109.69 1.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.157 . . . . 0.0 110.96 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.577 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -95.96 62.69 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -134.53 -65.92 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.608 ' O ' HD21 ' A' ' 57' ' ' LEU . 1.1 t80 -163.95 -149.64 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.408 1.067 . . . . 0.0 111.028 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.41 ' O ' HD21 ' A' ' 57' ' ' LEU . 1.9 m120 63.43 157.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 57' ' ' LEU . 0.7 OUTLIER -89.07 -172.11 3.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.6 mtm-85 53.97 -89.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.566 1.166 . . . . 0.0 110.307 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.608 HD21 ' O ' ' A' ' 53' ' ' PHE . 16.5 mt 72.02 -176.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.16 112.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -161.51 157.9 25.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.266 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -82.32 134.89 35.28 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.776 HG11 HG11 ' A' ' 18' ' ' VAL . 25.3 m -129.26 -177.67 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.0 p -114.0 -178.03 3.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.43 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.625 ' HA ' HD12 ' A' ' 66' ' ' LEU . 3.9 t-160 -76.73 -40.51 48.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.573 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -49.35 -28.78 5.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.356 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 27.9 mtt85 -86.49 -25.31 25.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.257 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' A' ' 63' ' ' HIS . 66.7 mt -71.99 117.22 13.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.406 ' C ' ' N ' ' A' ' 69' ' ' LYS . 8.6 t0 -102.07 72.12 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.776 HD22 HD11 ' A' ' 10' ' ' ILE . 3.9 mt -50.71 -21.89 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 67' ' ' ASP . 1.9 mttt -65.4 -10.22 31.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -135.19 25.87 3.53 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.564 1.165 . . . . 0.0 109.254 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.581 HG13 HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -68.78 165.42 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -152.72 62.93 0.8 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.14 . . . . 0.0 110.272 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.588 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 29.6 m-85 -37.88 152.43 0.14 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 151.0 38.84 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.547 1.814 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -78.6 145.13 34.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.366 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.4 tttm -148.05 148.76 31.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -92.75 76.41 4.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -123.85 171.04 9.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.407 1.067 . . . . 0.0 109.246 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.92 122.39 42.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.0 p -119.68 110.28 37.17 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 70.56 5.27 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.413 1.744 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.0 t -179.79 149.56 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.023 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -129.78 136.24 8.83 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 134.68 18.25 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.483 1.78 . . . . 0.0 111.009 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.96 84.62 0.59 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 110.05 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.4 p -95.88 18.42 13.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.97 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 O-C-N 124.494 1.122 . . . . 0.0 110.991 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 80' ' ' THR . 4.7 m -145.28 147.21 32.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 0.782 . . . . 0.0 110.018 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -71.49 147.5 47.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.03 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.0 -144.73 5.63 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.571 1.169 . . . . 0.0 111.014 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.9 p -179.27 171.12 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 0.74 . . . . 0.0 110.074 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 t -167.13 153.75 8.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.945 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.58 50.92 0.74 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.541 1.15 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -40.76 -78.14 0.06 OUTLIER Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.446 ' O ' HG23 ' A' ' 11' ' ' ILE . 4.5 pt-20 -136.82 131.39 33.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 0.807 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.72 HD11 HD22 ' A' ' 68' ' ' LEU . 11.2 mm -67.65 111.6 2.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.58 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.6 pp -111.85 168.52 4.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.627 1.205 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.476 ' O ' HD12 ' A' ' 11' ' ' ILE . 81.9 mt-10 -72.65 123.19 22.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.254 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.25 -32.55 4.86 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.605 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 16.5 m -49.01 138.63 11.42 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.413 ' CD ' HD11 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -114.35 123.14 48.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.234 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.837 HD12 ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -149.02 151.98 35.62 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.586 1.179 . . . . 0.0 109.342 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.405 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.1 Cg_endo -74.98 111.14 3.26 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.487 1.783 . . . . 0.0 110.959 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.86 HG11 HG11 ' A' ' 61' ' ' VAL . 54.6 t -91.52 115.45 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.462 ' HB3' ' CG ' ' A' ' 65' ' ' ARG . 12.6 tp -41.95 144.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.47 ' HD2' ' CZ ' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -164.07 114.39 1.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.263 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.3 mtt85 -89.36 105.19 17.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -65.1 178.78 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.0 -57.91 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.256 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.478 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 0.9 OUTLIER -47.58 -25.17 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.478 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 23.5 t30 81.42 43.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 27' ' ' ASP . 34.8 mt-10 -108.35 104.97 14.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.245 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 8.1 p-10 -40.01 103.06 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -96.36 171.32 8.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.441 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.9 m95 -146.11 64.28 9.79 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 107.993 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.441 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -75.11 147.95 34.2 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.537 1.809 . . . . 0.0 110.998 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.564 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.6 OUTLIER -63.74 130.37 43.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.441 ' N ' HD13 ' A' ' 31' ' ' LEU . . . -135.11 145.87 48.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.603 1.189 . . . . 0.0 109.238 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 22.6 tt0 -114.02 137.96 51.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.248 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.499 ' O ' HD23 ' A' ' 35' ' ' LEU . 3.6 mm -69.97 145.0 13.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.36 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 34' ' ' ILE . 33.1 mt -125.6 -52.21 1.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.79 147.46 28.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 110.03 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.648 HG22 ' HD2' ' A' ' 46' ' ' PHE . 62.8 t -111.06 168.82 4.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.559 ' N ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -161.52 -178.84 6.87 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -161.21 124.3 3.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.395 1.06 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.677 HD12 HD22 ' A' ' 45' ' ' LEU . 11.7 mt -127.65 71.38 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.7 53.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.41 -26.35 9.24 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.565 1.166 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.669 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -77.58 85.51 3.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 110.332 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.587 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -72.77 128.48 35.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.677 HD22 HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -109.6 140.19 43.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.73 ' CD1' HD11 ' A' ' 66' ' ' LEU . 21.6 m-85 -133.76 119.71 19.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.509 ' CZ ' ' HB2' ' A' ' 58' ' ' ASP . 8.2 t80 -80.06 91.52 5.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 111.053 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.803 HG21 HG21 ' A' ' 18' ' ' VAL . 5.2 m -95.47 160.8 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -133.93 115.5 14.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.635 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.47 ' CZ ' ' HD2' ' A' ' 20' ' ' ARG . 47.5 m-85 -62.05 118.95 7.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.094 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.564 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -100.49 151.24 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 163.37 -80.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -119.56 -64.15 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 111.014 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.48 ' CB ' HD11 ' A' ' 57' ' ' LEU . 0.8 OUTLIER -71.52 164.85 25.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.371 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.96 31.86 3.25 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 36.6 ttt-85 -139.1 51.44 1.79 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 110.336 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.48 HD11 ' CB ' ' A' ' 54' ' ' ASN . 0.4 OUTLIER -133.12 58.33 1.77 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 8.7 p30 -99.05 132.32 44.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -161.42 159.48 28.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 45.3 m95 -81.37 144.96 31.08 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.86 HG11 HG11 ' A' ' 18' ' ' VAL . 16.1 m -133.39 -171.62 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.246 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.4 p -123.12 169.58 11.08 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.385 1.053 . . . . 0.0 110.377 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.509 ' HA ' HD12 ' A' ' 66' ' ' LEU . 3.7 t-160 -60.32 -45.12 94.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.578 1.174 . . . . 0.0 109.641 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -46.7 -32.84 3.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 110.234 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.807 ' HB3' HG13 ' A' ' 18' ' ' VAL . 7.2 mtt180 -83.72 -28.94 27.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.239 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.73 HD11 ' CD1' ' A' ' 46' ' ' PHE . 46.2 mt -72.37 117.47 14.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.367 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -104.35 73.23 1.1 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.72 HD22 HD11 ' A' ' 10' ' ' ILE . 3.3 mt -52.01 -21.27 2.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -67.22 -9.57 41.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -133.79 18.02 3.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.357 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.511 HG13 HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -59.01 168.25 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.42 ' N ' HG23 ' A' ' 71' ' ' ILE . 15.4 mt-30 -154.88 61.64 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.321 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.605 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 30.4 m-85 -37.19 152.44 0.12 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.953 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 75' ' ' LYS . 18.1 Cg_endo -75.14 146.73 32.51 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 74' ' ' PRO . 36.0 tttt 39.04 67.59 0.42 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.454 ' CG ' ' O ' ' A' ' 76' ' ' LYS . 6.4 pttt -86.11 67.17 9.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -101.93 76.42 1.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 110.26 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -164.9 164.31 20.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.4 mttp -129.04 121.2 27.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.359 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.422 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 41.5 p -132.44 147.1 64.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.363 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 80' ' ' THR . 18.2 Cg_endo -74.97 167.26 27.45 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.499 1.789 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.9 138.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.994 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -139.38 -145.82 4.8 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 167.47 26.94 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.5 1.789 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.4 m 62.13 89.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.021 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.6 p -154.88 86.37 1.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 110.047 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.422 1.076 . . . . 0.0 111.007 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -130.25 164.34 24.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 0.737 . . . . 0.0 110.029 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.7 p 179.25 111.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.032 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.27 -167.89 11.14 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.516 1.135 . . . . 0.0 111.036 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.87 174.58 9.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 110.036 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -105.29 -61.27 1.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.96 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . -162.69 47.19 0.33 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.465 1.103 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -37.71 -80.7 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.472 ' O ' HG23 ' A' ' 11' ' ' ILE . 3.5 pt-20 -134.79 128.85 33.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 0.749 . . . . 0.0 110.28 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.909 HD11 HD22 ' A' ' 68' ' ' LEU . 6.6 mm -66.38 113.9 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.543 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.7 pp -115.75 170.24 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.495 ' O ' HD12 ' A' ' 11' ' ' ILE . 57.3 mt-10 -73.27 123.36 23.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.256 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.48 -27.48 6.9 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.529 1.143 . . . . 0.0 110.966 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.578 ' SG ' ' CD2' ' A' ' 73' ' ' PHE . 19.9 m -52.21 138.28 26.45 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.421 ' HB2' ' NH1' ' A' ' 15' ' ' ARG . 3.3 mtm105 -116.05 121.29 41.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.828 HD12 ' H ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -147.61 154.83 45.08 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.1 Cg_endo -75.01 107.82 2.57 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.436 1.756 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.747 HG11 HG11 ' A' ' 61' ' ' VAL . 49.6 t -90.85 111.47 23.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.406 1.067 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.6 tp -43.31 143.72 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.356 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -155.99 106.18 2.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.5 mtt180 -86.92 103.04 14.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.368 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -66.58 179.44 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -50.9 -47.62 60.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 14.1 m-20 -54.62 -26.28 31.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 4.3 t30 81.45 43.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -105.82 100.69 10.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 1.068 . . . . 0.0 110.328 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.448 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 8.4 p-10 -44.22 100.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -97.42 171.71 8.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.432 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 97.8 m95 -147.32 64.69 8.94 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 107.979 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.458 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 18.1 Cg_endo -75.04 153.44 41.58 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.467 1.772 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.519 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -68.83 128.4 36.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.63 ' HB1' ' HB ' ' A' ' 48' ' ' VAL . . . -133.13 146.78 51.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -114.39 137.47 51.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 110.241 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.8 mm -71.23 133.26 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.2 mt -113.02 -57.34 2.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -144.74 144.48 31.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.04 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.79 HG22 ' HD2' ' A' ' 46' ' ' PHE . 72.6 t -107.75 168.59 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.778 ' CD ' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -159.03 -179.27 7.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 0.0 109.308 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.713 ' O ' HD13 ' A' ' 40' ' ' ILE . 0.3 OUTLIER -157.26 118.14 3.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.778 HD11 ' CD ' ' A' ' 38' ' ' LYS . 26.1 mm -123.1 86.16 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.71 51.92 4.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 110.002 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.25 -23.83 16.57 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.555 1.159 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.692 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -78.71 91.95 4.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 0.789 . . . . 0.0 110.268 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 1.7 mtmt -76.55 125.8 29.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.692 HD13 ' CD ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -104.75 154.24 20.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.79 ' HD2' HG22 ' A' ' 37' ' ' VAL . 27.8 m-85 -147.1 120.63 9.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.517 ' CZ ' ' HB3' ' A' ' 58' ' ' ASP . 6.7 t80 -81.17 93.41 6.46 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.63 ' HB ' ' HB1' ' A' ' 32' ' ' ALA . 21.8 m -95.62 153.47 3.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -127.61 115.91 19.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 109.591 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -59.76 121.37 11.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.957 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.519 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -106.87 176.69 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' ILE . 36.7 t70 40.53 42.63 1.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.458 ' O ' HD13 ' A' ' 57' ' ' LEU . 2.1 t80 -174.07 89.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.859 ' HB3' HD11 ' A' ' 57' ' ' LEU . 1.6 m-20 59.95 -171.81 0.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -133.88 176.09 8.88 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.493 1.12 . . . . 0.0 110.256 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.9 46.49 19.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.859 HD11 ' HB3' ' A' ' 54' ' ' ASN . 1.1 mt -122.83 87.52 2.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -130.74 120.25 23.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.287 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -153.85 151.03 29.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 0.0 110.354 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 63.3 m95 -74.56 153.49 39.02 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.747 HG11 HG11 ' A' ' 18' ' ' VAL . 19.2 m -143.14 -174.84 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.5 p -118.96 -179.76 3.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.427 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.793 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.8 OUTLIER -73.46 -41.17 63.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.581 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -43.93 -43.68 6.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.278 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -75.67 -31.53 59.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.312 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.793 HD12 ' HA ' ' A' ' 63' ' ' HIS . 36.0 mt -65.71 112.99 3.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.371 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.402 ' C ' ' N ' ' A' ' 69' ' ' LYS . 10.1 t0 -98.63 71.94 1.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.909 HD22 HD11 ' A' ' 10' ' ' ILE . 3.6 mt -51.38 -21.36 2.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 67' ' ' ASP . 4.4 mttt -66.23 -9.93 37.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.5 mttp -131.58 13.67 4.95 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.575 HD11 HD13 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -54.72 159.91 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 73' ' ' PHE . 31.7 mt-30 -147.39 61.87 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.33 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.578 ' CD2' ' SG ' ' A' ' 14' ' ' CYS . 26.9 m-85 -36.73 153.77 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 157.12 43.15 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.531 1.806 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -93.89 85.94 4.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.81 139.14 39.43 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.79 79.93 6.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 110.327 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.42 -65.66 0.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.26 85.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 45.0 p -132.51 157.71 77.57 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.362 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 148.92 35.65 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.46 1.768 . . . . 0.0 110.961 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.8 t -166.19 140.23 4.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.928 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 115.38 -108.45 1.9 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.451 1.094 . . . . 0.0 110.98 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 177.96 7.86 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.596 1.84 . . . . 0.0 111.038 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 38.5 t 62.45 118.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.089 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.7 m -71.15 156.81 39.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.008 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.559 1.162 . . . . 0.0 111.022 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 p -74.08 168.58 19.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 0.77 . . . . 0.0 109.967 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.49 -60.35 0.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.17 121.99 0.88 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.0 p -92.97 159.27 15.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 0.81 . . . . 0.0 110.027 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 57.92 91.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . 40.27 48.52 3.65 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -37.82 -79.76 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.463 ' O ' HG23 ' A' ' 11' ' ' ILE . 3.3 pt-20 -136.97 131.36 32.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 0.796 . . . . 0.0 110.364 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.724 HD11 HD22 ' A' ' 68' ' ' LEU . 6.9 mm -67.08 107.24 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.479 ' C ' HD12 ' A' ' 11' ' ' ILE . 1.9 pp -105.95 171.34 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.466 ' O ' HD12 ' A' ' 11' ' ' ILE . 45.3 mt-10 -76.31 122.93 25.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.42 -25.68 7.64 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.9 m -53.64 142.59 22.57 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.417 ' HB3' HD11 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -118.96 120.5 37.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 110.343 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.823 HD12 ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.06 154.44 42.96 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' PRO . 18.5 Cg_endo -74.96 107.98 2.61 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.556 1.819 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.71 HG21 HG21 ' A' ' 48' ' ' VAL . 66.7 t -90.43 113.19 26.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.407 1.067 . . . . 0.0 109.267 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.5 tp -45.26 130.23 8.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.503 ' HG3' ' CZ ' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -147.08 111.38 5.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -81.97 109.65 16.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.325 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -72.32 -179.96 3.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.416 1.073 . . . . 0.0 109.248 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.4 ' C ' ' N ' ' A' ' 25' ' ' ASN . 4.5 tp60 -46.6 -58.12 4.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 110.304 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 82.9 m-20 -47.21 -25.22 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 4.0 t-20 82.03 38.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 28' ' ' GLU . 33.2 mt-10 -103.38 107.23 17.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -45.84 95.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 26' ' ' GLU . 12.0 tt0 -91.39 168.97 11.17 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.12 . . . . 0.0 110.307 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.418 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 98.4 m95 -137.85 65.29 45.28 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -75.06 148.73 35.46 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.451 1.764 . . . . 0.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.454 ' HA ' HD22 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -67.37 130.21 42.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 0.0 109.23 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.459 ' HA ' HD13 ' A' ' 51' ' ' ILE . . . -134.69 148.87 50.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -116.84 133.73 55.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.627 HD13 HG12 ' A' ' 48' ' ' VAL . 4.1 mm -65.5 145.26 14.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.582 HD23 ' O ' ' A' ' 34' ' ' ILE . 40.3 mt -124.62 -48.4 1.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.335 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.89 143.91 20.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 110.043 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.754 HG22 ' HD2' ' A' ' 46' ' ' PHE . 67.8 t -108.28 168.23 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.631 ' HE3' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -157.95 -176.35 5.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.442 ' O ' HD13 ' A' ' 40' ' ' ILE . 0.6 OUTLIER -159.41 120.67 3.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 109.312 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.631 HD11 ' HE3' ' A' ' 38' ' ' LYS . 13.0 mm -125.41 91.52 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.24 42.82 17.87 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 109.98 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.86 -24.52 30.69 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.129 . . . . 0.0 111.044 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.646 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -75.72 91.89 2.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 110.291 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.583 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -75.33 125.36 28.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.646 HD13 ' CD ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -105.05 154.44 20.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.353 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.754 ' HD2' HG22 ' A' ' 37' ' ' VAL . 21.6 m-85 -147.4 115.81 6.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.999 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 58' ' ' ASP . 6.3 t80 -76.88 92.39 3.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.942 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.71 HG21 HG21 ' A' ' 18' ' ' VAL . 23.8 m -95.6 148.96 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.566 1.166 . . . . 0.0 109.357 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -125.54 116.16 21.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.581 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.503 ' CZ ' ' HG3' ' A' ' 20' ' ' ARG . 25.2 m-85 -58.2 142.13 48.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.598 1.186 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.459 HD13 ' HA ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -126.89 6.43 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -116.23 -68.16 0.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -102.21 158.8 15.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 24.6 p30 -110.87 146.67 36.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.643 1.214 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.5 tpt85 178.13 -44.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -149.25 61.42 1.04 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.253 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' ARG . 8.9 mt -40.17 120.76 1.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.243 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 47' ' ' TYR . 2.5 m-20 60.42 111.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -157.78 159.86 37.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -88.92 142.31 27.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 108.015 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.705 HG11 HG11 ' A' ' 18' ' ' VAL . 27.5 m -138.48 -176.66 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.35 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.4 p -112.12 177.8 4.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 0.0 110.426 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.838 ' HA ' HD12 ' A' ' 66' ' ' LEU . 22.6 t-160 -79.49 1.71 24.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.616 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -82.58 -44.11 16.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.241 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.45 -23.62 53.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.838 HD12 ' HA ' ' A' ' 63' ' ' HIS . 38.6 mt -68.34 105.84 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.402 1.064 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.403 ' C ' ' N ' ' A' ' 69' ' ' LYS . 12.3 t0 -92.72 72.58 4.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.27 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.724 HD22 HD11 ' A' ' 10' ' ' ILE . 3.7 mt -51.27 -21.52 2.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 67' ' ' ASP . 8.3 mttt -66.64 -9.6 37.44 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.553 1.158 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.2 mttp -134.2 21.22 3.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.62 HG13 HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -64.24 162.88 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 109.37 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -148.71 65.25 1.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -38.39 154.22 0.14 Allowed Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.557 1.161 . . . . 0.0 110.951 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 151.07 38.85 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.47 1.774 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -72.27 140.98 48.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.396 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.88 135.61 15.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.77 148.42 50.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.267 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -99.77 118.07 35.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -151.57 -78.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.209 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.66 HG22 ' HD2' ' A' ' 81' ' ' PRO . 3.9 m 72.28 145.23 0.11 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 110.432 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.66 ' HD2' HG22 ' A' ' 80' ' ' THR . 18.5 Cg_endo -74.98 96.21 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 0.0 111.075 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.41 111.41 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.032 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 148.87 -99.73 0.2 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.418 1.074 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 99.22 1.23 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.508 1.794 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.9 t -112.73 126.4 55.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.98 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 67.3 m 56.67 101.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 110.005 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.572 1.17 . . . . 0.0 111.047 179.976 . . . . . . . . 0 0 . 1 stop_ save_