data_1dc8_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 1dc8 _Structure_validation_residue.Date_analyzed 2016-10-06 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 full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.458 0.17 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -138.84 132.2 30.15 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -137.78 165.85 25.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 129.12 125.65 2.76 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.514 ' CG2' ' HB3' ' A' ' 48' ' ' PRO . 5.1 mp -138.2 153.49 26.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.558 0.799 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.485 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -131.56 124.28 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.44 ' CD1' ' HB ' ' A' ' 31' ' ' THR . 1.6 m0 -113.24 148.8 34.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 107.991 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 67.3 t -150.45 138.02 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.234 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.451 ' CG2' ' HA ' ' A' ' 53' ' ' SER . 22.7 m -133.46 123.19 45.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 109.308 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 34' ' ' GLU . 7.5 t0 -163.9 -176.92 4.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -166.49 31.46 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.13 -79.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.99 -44.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.011 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.412 ' O ' ' OG ' ' A' ' 14' ' ' SER . 1.4 p -174.95 41.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 18' ' ' VAL . 1.0 OUTLIER -84.35 -56.01 6.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.01 -20.06 2.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.735 ' O ' ' CE3' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -75.58 -36.51 60.34 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.942 -1.132 . . . . 0.0 107.942 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.441 HG23 ' CE2' ' A' ' 17' ' ' TRP . 42.5 t -90.72 -28.38 4.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.356 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.473 ' CD2' HD13 ' A' ' 108' ' ' ILE . 0.2 OUTLIER -72.12 -46.25 57.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.233 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.482 ' HB2' ' CG2' ' A' ' 32' ' ' THR . 4.3 tm-20 -69.97 -14.31 62.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.609 1.193 . . . . 0.0 110.325 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -88.21 -24.37 23.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.297 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.472 ' CB ' HG22 ' A' ' 112' ' ' VAL . . . -99.03 -23.8 15.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.467 ' CD2' HD13 ' A' ' 19' ' ' LEU . 0.8 OUTLIER -80.12 -40.54 27.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.3 -33.45 74.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.34 12.96 53.45 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.424 1.077 . . . . 0.0 111.034 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.598 ' CB ' ' CG1' ' A' ' 112' ' ' VAL . . . -117.53 -13.7 10.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.764 . . . . 0.0 109.287 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -150.54 -95.66 0.13 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.421 ' O ' ' O ' ' A' ' 4' ' ' GLY . 0.5 OUTLIER 174.95 147.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.42 0.718 . . . . 0.0 109.28 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.416 ' O ' ' O ' ' A' ' 28' ' ' LEU . 3.0 m 55.61 109.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.334 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.485 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 12.4 t -137.34 156.24 48.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 108.317 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.44 ' HB ' ' CD1' ' A' ' 7' ' ' TRP . 18.4 m -140.1 177.19 8.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.328 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.482 ' CG2' ' HB2' ' A' ' 20' ' ' GLU . 4.7 p -154.29 136.62 14.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.587 1.179 . . . . 0.0 110.387 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.625 ' CD1' ' CG2' ' A' ' 39' ' ' VAL . 45.8 m-85 -122.64 -170.97 2.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 10' ' ' ASP . 1.0 OUTLIER -95.82 -76.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -95.29 -35.4 11.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.415 ' O ' ' HB ' ' A' ' 39' ' ' VAL . . . 99.07 11.64 45.27 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 0.0 111.02 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 40' ' ' LEU . 18.2 t-20 -59.81 -74.16 0.08 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 0.755 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -44.73 -36.07 2.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.625 ' CG2' ' CD1' ' A' ' 33' ' ' PHE . 3.4 t -54.04 -39.04 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 37' ' ' ASN . 7.3 tp -50.66 -65.61 0.53 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 109.36 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.61 -12.73 24.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -98.64 0.11 44.11 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.559 ' CD1' ' CD2' ' A' ' 51' ' ' LEU . 2.7 mt -95.2 -30.87 13.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.86 8.66 16.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.8 p -116.59 -56.91 2.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.969 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.65 -78.25 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.578 ' CG2' ' O ' ' A' ' 47' ' ' THR . 0.5 OUTLIER 71.31 103.78 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.404 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.514 ' HB3' ' CG2' ' A' ' 5' ' ' ILE . 18.2 Cg_endo -75.0 -162.46 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.535 1.808 . . . . 0.0 110.936 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.59 -16.02 52.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.443 ' CG2' ' N ' ' A' ' 51' ' ' LEU . 2.7 p -171.25 166.04 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.559 ' CD2' ' CD1' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -159.93 161.8 34.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.548 ' HA ' ' CG2' ' A' ' 79' ' ' ILE . 0.4 OUTLIER -104.78 -157.62 0.62 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.229 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.451 ' HA ' ' CG2' ' A' ' 9' ' ' VAL . 0.5 OUTLIER 167.01 89.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.083 . . . . 0.0 109.98 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHD . . . . . 0.497 ' HB3' ' CB ' ' A' ' 81' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.545 ' CG2' ' N ' ' A' ' 56' ' ' ARG . 4.0 tp -176.04 -146.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.545 ' N ' ' CG2' ' A' ' 55' ' ' ILE . 0.0 OUTLIER 175.5 38.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.475 ' O ' ' HB2' ' A' ' 61' ' ' ASP . 2.0 ptm -115.46 150.76 45.15 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.506 1.129 . . . . 0.0 110.958 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -179.64 5.18 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.488 1.783 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.5 -36.32 3.24 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.565 ' O ' ' O ' ' A' ' 61' ' ' ASP . 4.9 ttp -139.57 -82.26 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 111.033 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.565 ' O ' ' O ' ' A' ' 60' ' ' MET . 3.3 t70 50.41 165.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.571 1.169 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.503 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . -65.72 -93.91 0.03 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.445 1.091 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.528 HD22 ' O ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -56.76 -46.23 81.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 0.743 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.528 ' O ' HD22 ' A' ' 63' ' ' LEU . . . 34.23 -139.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.607 ' O ' ' CB ' ' A' ' 66' ' ' LEU . 2.1 mm? -46.19 -89.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.389 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.607 ' CB ' ' O ' ' A' ' 65' ' ' LEU . 0.2 OUTLIER 154.84 -25.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' A' ' 70' ' ' LYS . 0.8 OUTLIER -80.13 -72.39 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.45 ' OE1' ' CD2' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -40.81 -39.48 1.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.415 HD11 ' NE2' ' A' ' 68' ' ' GLN . 1.1 mp -55.72 -39.28 54.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.54 ' N ' ' O ' ' A' ' 67' ' ' LYS . 3.3 mmmt -52.23 -91.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.36 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.463 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.6 OUTLIER -33.98 -61.03 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 110.316 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.441 ' CG ' ' HG2' ' A' ' 68' ' ' GLN . 6.0 mmp_? -41.15 -47.01 3.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.511 ' CG ' HG23 ' A' ' 78' ' ' VAL . 17.1 p80 -165.39 84.0 1.08 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.594 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.494 ' N ' ' O ' ' A' ' 70' ' ' LYS . 18.3 Cg_endo -74.95 -49.04 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.455 1.766 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.29 -26.76 10.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.415 ' HA ' ' HD3' ' A' ' 77' ' ' PRO . 1.0 OUTLIER -55.92 137.08 72.78 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 76' ' ' LEU . 18.4 Cg_endo -74.94 123.58 8.02 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.416 1.745 . . . . 0.0 111.042 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.511 HG23 ' CG ' ' A' ' 73' ' ' HIS . 56.3 t -126.51 6.11 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.57 ' CD1' ' CD2' ' A' ' 114' ' ' LEU . 2.2 tt 35.37 -147.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.71 ' CG2' ' CD1' ' A' ' 101' ' ' TYR . 2.6 tp -173.59 174.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.135 . . . . 0.0 109.241 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.555 ' O ' ' CB ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -161.07 120.03 2.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.969 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.555 ' CB ' ' O ' ' A' ' 81' ' ' MET . 0.1 OUTLIER 161.85 120.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.446 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -83.93 -143.94 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.2 m170 45.96 -156.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.603 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 98.7 p -63.37 153.22 35.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.03 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.8 p30 179.3 55.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.284 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.86 -15.29 63.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -84.7 -37.56 20.8 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.515 1.134 . . . . 0.0 109.349 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.512 ' O ' ' CB ' ' A' ' 93' ' ' ALA . . . -81.88 -12.51 58.41 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.505 1.128 . . . . 0.0 109.355 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.548 ' HA ' ' CE1' ' A' ' 94' ' ' TYR . . . -88.86 6.42 39.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.425 1.078 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.408 ' O ' ' HB2' ' A' ' 94' ' ' TYR . 7.6 m -137.62 -60.26 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 109.232 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 97' ' ' GLY . 0.2 OUTLIER -64.84 -24.96 67.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 110.007 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 89' ' ' ALA . . . -97.33 19.01 13.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.548 ' CE1' ' HA ' ' A' ' 90' ' ' ALA . 5.5 m-85 -123.51 -1.86 8.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.531 ' O ' ' CG ' ' A' ' 95' ' ' GLN . 1.2 pt20 -179.06 44.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 110.257 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.423 ' CG ' ' O ' ' A' ' 95' ' ' GLN . 0.8 OUTLIER -174.47 -89.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.245 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.634 ' O ' ' CB ' ' A' ' 98' ' ' ALA . . . -74.44 51.88 2.22 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.149 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.634 ' CB ' ' O ' ' A' ' 97' ' ' GLY . . . 93.97 131.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 0.752 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.521 ' CE1' ' OD2' ' A' ' 100' ' ' ASP . 1.8 p90 -89.23 -8.09 54.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.521 ' OD2' ' CE1' ' A' ' 99' ' ' PHE . 11.0 m-20 -99.87 -172.54 2.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.71 ' CD1' ' CG2' ' A' ' 80' ' ' ILE . 0.5 OUTLIER -176.29 140.97 0.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.637 ' HB3' ' CE2' ' A' ' 106' ' ' PHE . 0.9 OUTLIER -127.22 68.77 73.23 Favored Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.435 ' HD3' ' C ' ' A' ' 101' ' ' TYR . 18.3 Cg_endo -74.99 161.08 39.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.527 1.804 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.1 mttp 55.52 171.3 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 106' ' ' PHE . 18.6 Cg_endo -74.89 68.79 5.6 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.637 ' CE2' ' HB3' ' A' ' 102' ' ' LEU . 9.5 p90 -51.61 -171.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.566 1.166 . . . . 0.0 111.007 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.4 ' O ' ' HB1' ' A' ' 111' ' ' ALA . 0.3 OUTLIER -109.31 -174.81 2.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.473 HD13 ' CD2' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -74.48 -67.43 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.334 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' A' ' 113' ' ' ALA . 0.5 OUTLIER -52.1 -44.43 64.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 7.3 mm-40 -63.58 -21.41 66.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.342 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.593 ' HB3' ' CD1' ' A' ' 106' ' ' PHE . . . -92.86 -49.16 6.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.598 ' CG1' ' CB ' ' A' ' 26' ' ' ALA . 61.2 t -67.48 -50.89 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 109.349 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 109' ' ' ASP . . . -58.1 -17.36 17.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.57 ' CD2' ' CD1' ' A' ' 79' ' ' ILE . 5.7 tt -84.23 -21.65 31.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.6 t -87.8 -28.71 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 0.0 109.238 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.0 -24.67 63.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.125 . . . . 0.0 110.276 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.461 ' HG3' ' N ' ' A' ' 118' ' ' ALA . 0.3 OUTLIER -86.31 -22.95 26.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.264 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.461 ' N ' ' HG3' ' A' ' 117' ' ' ARG . . . -83.81 -25.83 30.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.4 mt -73.66 -45.31 51.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.5 t -75.58 -16.5 60.23 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.142 . . . . 0.0 110.015 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -61.29 -19.07 61.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.596 1.185 . . . . 0.0 109.598 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -74.09 -37.81 64.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -89.76 110.98 21.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.238 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.226 179.96 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.458 0.17 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -138.84 132.2 30.15 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.425 ' C ' HD11 ' A' ' 28' ' ' LEU . 3.7 ptt180 -137.78 165.85 25.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 129.12 125.65 2.76 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.514 ' CG2' ' HB3' ' A' ' 48' ' ' PRO . 5.1 mp -138.2 153.49 26.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.558 0.799 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.806 HG23 ' CB ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -131.56 124.28 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.437 ' HB3' HD13 ' A' ' 51' ' ' LEU . 1.6 m0 -113.24 148.8 34.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 107.991 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 67.3 t -150.45 138.02 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.234 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.848 HG12 ' HB2' ' A' ' 33' ' ' PHE . 22.7 m -133.46 123.19 45.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 109.308 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 34' ' ' GLU . 7.5 t0 -163.9 -176.92 4.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -166.49 31.46 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.13 -79.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.99 -44.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.011 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -174.95 41.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 18' ' ' VAL . 1.0 OUTLIER -84.35 -56.01 6.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.01 -20.06 2.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.735 ' O ' ' CE3' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -75.58 -36.51 60.34 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.942 -1.132 . . . . 0.0 107.942 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.6 HG12 HD11 ' A' ' 108' ' ' ILE . 42.5 t -90.72 -28.38 4.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.356 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.803 HD13 ' CD2' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -72.12 -46.25 57.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.233 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.481 ' HB2' ' CG2' ' A' ' 32' ' ' THR . 4.3 tm-20 -69.97 -14.31 62.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.609 1.193 . . . . 0.0 110.325 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -88.21 -24.37 23.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.297 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.684 ' HB1' HG21 ' A' ' 112' ' ' VAL . . . -99.03 -23.8 15.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.803 ' CD2' HD13 ' A' ' 19' ' ' LEU . 0.8 OUTLIER -80.12 -40.54 27.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.3 -33.45 74.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.34 12.96 53.45 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.424 1.077 . . . . 0.0 111.034 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.798 ' HB2' HG11 ' A' ' 112' ' ' VAL . . . -117.53 -13.7 10.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.764 . . . . 0.0 109.287 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.435 ' O ' HD23 ' A' ' 28' ' ' LEU . . . -150.54 -95.66 0.13 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER 174.95 147.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.42 0.718 . . . . 0.0 109.28 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.512 HG22 HG23 ' A' ' 5' ' ' ILE . 3.0 m 55.61 109.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.334 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.806 ' CB ' HG23 ' A' ' 6' ' ' VAL . 12.4 t -137.34 156.24 48.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 108.317 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.577 HG22 ' H ' ' A' ' 32' ' ' THR . 18.4 m -140.1 177.19 8.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.328 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.577 ' H ' HG22 ' A' ' 31' ' ' THR . 4.7 p -154.29 136.62 14.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.587 1.179 . . . . 0.0 110.387 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.848 ' HB2' HG12 ' A' ' 9' ' ' VAL . 45.8 m-85 -122.64 -170.97 2.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 10' ' ' ASP . 1.0 OUTLIER -95.82 -76.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -95.29 -35.4 11.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.414 ' O ' ' HB ' ' A' ' 39' ' ' VAL . . . 99.07 11.64 45.27 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 0.0 111.02 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 40' ' ' LEU . 18.2 t-20 -59.81 -74.16 0.08 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 0.755 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -44.73 -36.07 2.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.625 ' CG2' ' CD1' ' A' ' 33' ' ' PHE . 3.4 t -54.04 -39.04 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.003 HD21 ' NE2' ' A' ' 68' ' ' GLN . 7.3 tp -50.66 -65.61 0.53 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 109.36 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.61 -12.73 24.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.611 ' HB3' ' HA ' ' A' ' 39' ' ' VAL . . . -98.64 0.11 44.11 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 1.08 HD11 ' CD2' ' A' ' 51' ' ' LEU . 2.7 mt -95.2 -30.87 13.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.541 ' HB2' ' HE ' ' A' ' 72' ' ' ARG . . . -84.86 8.66 16.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.8 p -116.59 -56.91 2.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.969 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.65 -78.25 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.578 ' CG2' ' O ' ' A' ' 47' ' ' THR . 0.5 OUTLIER 71.31 103.78 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.404 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.514 ' HB3' ' CG2' ' A' ' 5' ' ' ILE . 18.2 Cg_endo -75.0 -162.46 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.535 1.808 . . . . 0.0 110.936 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.59 -16.02 52.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.809 HG11 HG13 ' A' ' 115' ' ' VAL . 2.7 p -171.25 166.04 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 1.08 ' CD2' HD11 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -159.93 161.8 34.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.827 ' HA ' HG22 ' A' ' 79' ' ' ILE . 0.4 OUTLIER -104.78 -157.62 0.62 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.229 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.437 ' HA ' ' CG2' ' A' ' 9' ' ' VAL . 0.5 OUTLIER 167.01 89.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.083 . . . . 0.0 109.98 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHD . . . . . 0.498 ' HB3' ' CB ' ' A' ' 81' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.829 HG23 ' N ' ' A' ' 56' ' ' ARG . 4.0 tp -176.04 -146.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.829 ' N ' HG23 ' A' ' 55' ' ' ILE . 0.0 OUTLIER 175.5 38.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.475 ' O ' ' HB2' ' A' ' 61' ' ' ASP . 2.0 ptm -115.46 150.76 45.15 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.506 1.129 . . . . 0.0 110.958 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -179.64 5.18 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.488 1.783 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.5 -36.32 3.24 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.782 ' HG3' HD22 ' A' ' 40' ' ' LEU . 4.9 ttp -139.57 -82.26 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 111.033 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.7 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 3.3 t70 50.41 165.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.571 1.169 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.792 ' HA3' HD11 ' A' ' 80' ' ' ILE . . . -65.72 -93.91 0.03 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.445 1.091 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.929 HD22 ' O ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -56.76 -46.23 81.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 0.743 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.7 ' HB2' ' HB3' ' A' ' 61' ' ' ASP . . . 34.23 -139.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.607 ' O ' ' CB ' ' A' ' 66' ' ' LEU . 2.1 mm? -46.19 -89.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.389 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.607 ' CB ' ' O ' ' A' ' 65' ' ' LEU . 0.2 OUTLIER 154.84 -25.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.552 ' O ' ' N ' ' A' ' 70' ' ' LYS . 0.8 OUTLIER -80.13 -72.39 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 1.003 ' NE2' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -40.81 -39.48 1.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.404 HD11 ' O ' ' A' ' 62' ' ' GLY . 1.1 mp -55.72 -39.28 54.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.552 ' N ' ' O ' ' A' ' 67' ' ' LYS . 3.3 mmmt -52.23 -91.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.36 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.463 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.6 OUTLIER -33.98 -61.03 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 110.316 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.541 ' HE ' ' HB2' ' A' ' 44' ' ' ALA . 6.0 mmp_? -41.15 -47.01 3.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.86 ' CG ' HG21 ' A' ' 78' ' ' VAL . 17.1 p80 -165.39 84.0 1.08 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.594 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.494 ' N ' ' O ' ' A' ' 70' ' ' LYS . 18.3 Cg_endo -74.95 -49.04 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.455 1.766 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.29 -26.76 10.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.437 ' HA ' ' HD3' ' A' ' 77' ' ' PRO . 1.0 OUTLIER -55.92 137.08 72.78 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 76' ' ' LEU . 18.4 Cg_endo -74.94 123.58 8.02 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.416 1.745 . . . . 0.0 111.042 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.86 HG21 ' CG ' ' A' ' 73' ' ' HIS . 56.3 t -126.51 6.11 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.827 HG22 ' HA ' ' A' ' 52' ' ' LEU . 2.2 tt 35.37 -147.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.792 HD11 ' HA3' ' A' ' 62' ' ' GLY . 2.6 tp -173.59 174.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.135 . . . . 0.0 109.241 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.763 ' C ' HG22 ' A' ' 82' ' ' THR . 0.0 OUTLIER -161.07 120.03 2.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.969 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.763 HG22 ' C ' ' A' ' 81' ' ' MET . 0.1 OUTLIER 161.85 120.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.446 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -83.93 -143.94 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.2 m170 45.96 -156.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.603 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 98.7 p -63.37 153.22 35.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.03 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.503 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 3.8 p30 179.3 55.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.519 ' O ' HG22 ' A' ' 91' ' ' VAL . 0.8 OUTLIER -68.86 -15.29 63.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -84.7 -37.56 20.8 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.515 1.134 . . . . 0.0 109.349 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 1.049 ' O ' ' HB3' ' A' ' 93' ' ' ALA . . . -81.88 -12.51 58.41 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.505 1.128 . . . . 0.0 109.355 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.573 ' HA ' ' CE1' ' A' ' 94' ' ' TYR . . . -88.86 6.42 39.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.425 1.078 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.633 HG23 ' H ' ' A' ' 92' ' ' SER . 7.6 m -137.62 -60.26 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 109.232 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.633 ' H ' HG23 ' A' ' 91' ' ' VAL . 0.2 OUTLIER -64.84 -24.96 67.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 110.007 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 1.049 ' HB3' ' O ' ' A' ' 89' ' ' ALA . . . -97.33 19.01 13.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.573 ' CE1' ' HA ' ' A' ' 90' ' ' ALA . 5.5 m-85 -123.51 -1.86 8.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.531 ' O ' ' CG ' ' A' ' 95' ' ' GLN . 1.2 pt20 -179.06 44.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 110.257 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.423 ' CG ' ' O ' ' A' ' 95' ' ' GLN . 0.8 OUTLIER -174.47 -89.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.245 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.765 ' O ' ' HB3' ' A' ' 98' ' ' ALA . . . -74.44 51.88 2.22 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.149 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.765 ' HB3' ' O ' ' A' ' 97' ' ' GLY . . . 93.97 131.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 0.752 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.521 ' CE1' ' OD2' ' A' ' 100' ' ' ASP . 1.8 p90 -89.23 -8.09 54.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.521 ' OD2' ' CE1' ' A' ' 99' ' ' PHE . 11.0 m-20 -99.87 -172.54 2.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.71 ' CD1' ' CG2' ' A' ' 80' ' ' ILE . 0.5 OUTLIER -176.29 140.97 0.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.858 ' CD1' HD13 ' A' ' 114' ' ' LEU . 0.9 OUTLIER -127.22 68.77 73.23 Favored Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.435 ' HD3' ' C ' ' A' ' 101' ' ' TYR . 18.3 Cg_endo -74.99 161.08 39.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.527 1.804 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.1 mttp 55.52 171.3 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 106' ' ' PHE . 18.6 Cg_endo -74.89 68.79 5.6 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.636 ' CE2' ' HB3' ' A' ' 102' ' ' LEU . 9.5 p90 -51.61 -171.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.566 1.166 . . . . 0.0 111.007 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.453 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 0.3 OUTLIER -109.31 -174.81 2.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.633 HD12 ' HB3' ' A' ' 22' ' ' ALA . 0.5 OUTLIER -74.48 -67.43 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.334 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.632 ' N ' HG22 ' A' ' 108' ' ' ILE . 0.5 OUTLIER -52.1 -44.43 64.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 7.3 mm-40 -63.58 -21.41 66.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.342 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.529 ' HB2' ' CD1' ' A' ' 106' ' ' PHE . . . -92.86 -49.16 6.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.798 HG11 ' HB2' ' A' ' 26' ' ' ALA . 61.2 t -67.48 -50.89 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 109.349 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 109' ' ' ASP . . . -58.1 -17.36 17.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.858 HD13 ' CD1' ' A' ' 102' ' ' LEU . 5.7 tt -84.23 -21.65 31.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.809 HG13 HG11 ' A' ' 50' ' ' VAL . 2.6 t -87.8 -28.71 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 0.0 109.238 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.0 -24.67 63.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.125 . . . . 0.0 110.276 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.461 ' HG3' ' N ' ' A' ' 118' ' ' ALA . 0.3 OUTLIER -86.31 -22.95 26.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.264 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.461 ' N ' ' HG3' ' A' ' 117' ' ' ARG . . . -83.81 -25.83 30.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.4 mt -73.66 -45.31 51.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.5 t -75.58 -16.5 60.23 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.142 . . . . 0.0 110.015 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -61.29 -19.07 61.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.596 1.185 . . . . 0.0 109.598 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -74.09 -37.81 64.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -89.76 110.98 21.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.238 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.226 179.96 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.458 0.17 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -138.84 132.2 30.15 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.425 ' C ' HD11 ' A' ' 28' ' ' LEU . 3.7 ptt180 -137.78 165.85 25.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 129.12 125.65 2.76 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.514 ' CG2' ' HB3' ' A' ' 48' ' ' PRO . 5.1 mp -138.2 153.49 26.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.558 0.799 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.806 HG23 ' CB ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -131.56 124.28 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.437 ' HB3' HD13 ' A' ' 51' ' ' LEU . 1.6 m0 -113.24 148.8 34.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 107.991 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 67.3 t -150.45 138.02 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.234 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.848 HG12 ' HB2' ' A' ' 33' ' ' PHE . 22.7 m -133.46 123.19 45.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 109.308 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 34' ' ' GLU . 7.5 t0 -163.9 -176.92 4.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -166.49 31.46 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.13 -79.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.99 -44.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.011 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -174.95 41.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 18' ' ' VAL . 1.0 OUTLIER -84.35 -56.01 6.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.01 -20.06 2.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.735 ' O ' ' CE3' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -75.58 -36.51 60.34 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.942 -1.132 . . . . 0.0 107.942 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.6 HG12 HD11 ' A' ' 108' ' ' ILE . 42.5 t -90.72 -28.38 4.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.356 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.803 HD13 ' CD2' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -72.12 -46.25 57.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.233 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.481 ' HB2' ' CG2' ' A' ' 32' ' ' THR . 4.3 tm-20 -69.97 -14.31 62.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.609 1.193 . . . . 0.0 110.325 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -88.21 -24.37 23.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.297 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.684 ' HB1' HG21 ' A' ' 112' ' ' VAL . . . -99.03 -23.8 15.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.803 ' CD2' HD13 ' A' ' 19' ' ' LEU . 0.8 OUTLIER -80.12 -40.54 27.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.3 -33.45 74.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.34 12.96 53.45 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.424 1.077 . . . . 0.0 111.034 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.798 ' HB2' HG11 ' A' ' 112' ' ' VAL . . . -117.53 -13.7 10.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.764 . . . . 0.0 109.287 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.435 ' O ' HD23 ' A' ' 28' ' ' LEU . . . -150.54 -95.66 0.13 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER 174.95 147.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.42 0.718 . . . . 0.0 109.28 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.512 HG22 HG23 ' A' ' 5' ' ' ILE . 3.0 m 55.61 109.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.334 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.806 ' CB ' HG23 ' A' ' 6' ' ' VAL . 12.4 t -137.34 156.24 48.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 108.317 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.577 HG22 ' H ' ' A' ' 32' ' ' THR . 18.4 m -140.1 177.19 8.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.328 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.577 ' H ' HG22 ' A' ' 31' ' ' THR . 4.7 p -154.29 136.62 14.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.587 1.179 . . . . 0.0 110.387 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.848 ' HB2' HG12 ' A' ' 9' ' ' VAL . 45.8 m-85 -122.64 -170.97 2.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 10' ' ' ASP . 1.0 OUTLIER -95.82 -76.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -95.29 -35.4 11.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.414 ' O ' ' HB ' ' A' ' 39' ' ' VAL . . . 99.07 11.64 45.27 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 0.0 111.02 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 40' ' ' LEU . 18.2 t-20 -59.81 -74.16 0.08 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 0.755 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -44.73 -36.07 2.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.625 ' CG2' ' CD1' ' A' ' 33' ' ' PHE . 3.4 t -54.04 -39.04 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.988 HD21 ' CD ' ' A' ' 68' ' ' GLN . 7.3 tp -50.66 -65.61 0.53 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 109.36 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.61 -12.73 24.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.611 ' HB3' ' HA ' ' A' ' 39' ' ' VAL . . . -98.64 0.11 44.11 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 1.08 HD11 ' CD2' ' A' ' 51' ' ' LEU . 2.7 mt -95.2 -30.87 13.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.541 ' HB2' ' HE ' ' A' ' 72' ' ' ARG . . . -84.86 8.66 16.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.8 p -116.59 -56.91 2.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.969 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.65 -78.25 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.578 ' CG2' ' O ' ' A' ' 47' ' ' THR . 0.5 OUTLIER 71.31 103.78 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.404 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.514 ' HB3' ' CG2' ' A' ' 5' ' ' ILE . 18.2 Cg_endo -75.0 -162.46 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.535 1.808 . . . . 0.0 110.936 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.59 -16.02 52.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.809 HG11 HG13 ' A' ' 115' ' ' VAL . 2.7 p -171.25 166.04 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 1.08 ' CD2' HD11 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -159.93 161.8 34.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.827 ' HA ' HG22 ' A' ' 79' ' ' ILE . 0.4 OUTLIER -104.78 -157.62 0.62 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.229 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.437 ' HA ' ' CG2' ' A' ' 9' ' ' VAL . 0.5 OUTLIER 167.01 89.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.083 . . . . 0.0 109.98 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHD . . . . . 0.498 ' HB3' ' CB ' ' A' ' 81' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.829 HG23 ' N ' ' A' ' 56' ' ' ARG . 4.0 tp -176.04 -146.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.829 ' N ' HG23 ' A' ' 55' ' ' ILE . 0.0 OUTLIER 175.5 38.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.475 ' O ' ' HB2' ' A' ' 61' ' ' ASP . 2.0 ptm -115.46 150.76 45.15 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.506 1.129 . . . . 0.0 110.958 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -179.64 5.18 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.488 1.783 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.5 -36.32 3.24 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.782 ' HG3' HD22 ' A' ' 40' ' ' LEU . 4.9 ttp -139.57 -82.26 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 111.033 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.7 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 3.3 t70 50.41 165.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.571 1.169 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.792 ' HA3' HD11 ' A' ' 80' ' ' ILE . . . -65.72 -93.91 0.03 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.445 1.091 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.929 HD22 ' O ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -56.76 -46.23 81.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 0.743 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.7 ' HB2' ' HB3' ' A' ' 61' ' ' ASP . . . 34.23 -139.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.607 ' O ' ' CB ' ' A' ' 66' ' ' LEU . 2.1 mm? -46.19 -89.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.389 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.607 ' CB ' ' O ' ' A' ' 65' ' ' LEU . 0.2 OUTLIER 154.84 -25.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.552 ' O ' ' N ' ' A' ' 70' ' ' LYS . 0.8 OUTLIER -80.13 -72.39 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.988 ' CD ' HD21 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -40.81 -39.48 1.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.499 HD12 ' NE2' ' A' ' 68' ' ' GLN . 1.1 mp -55.72 -39.28 54.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.552 ' N ' ' O ' ' A' ' 67' ' ' LYS . 3.3 mmmt -52.23 -91.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.36 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.463 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.6 OUTLIER -33.98 -61.03 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 110.316 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.541 ' HE ' ' HB2' ' A' ' 44' ' ' ALA . 6.0 mmp_? -41.15 -47.01 3.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.86 ' CG ' HG21 ' A' ' 78' ' ' VAL . 17.1 p80 -165.39 84.0 1.08 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.594 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.494 ' N ' ' O ' ' A' ' 70' ' ' LYS . 18.3 Cg_endo -74.95 -49.04 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.455 1.766 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.29 -26.76 10.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.437 ' HA ' ' HD3' ' A' ' 77' ' ' PRO . 1.0 OUTLIER -55.92 137.08 72.78 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 76' ' ' LEU . 18.4 Cg_endo -74.94 123.58 8.02 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.416 1.745 . . . . 0.0 111.042 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.86 HG21 ' CG ' ' A' ' 73' ' ' HIS . 56.3 t -126.51 6.11 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.827 HG22 ' HA ' ' A' ' 52' ' ' LEU . 2.2 tt 35.37 -147.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.792 HD11 ' HA3' ' A' ' 62' ' ' GLY . 2.6 tp -173.59 174.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.135 . . . . 0.0 109.241 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.763 ' C ' HG22 ' A' ' 82' ' ' THR . 0.0 OUTLIER -161.07 120.03 2.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.969 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.763 HG22 ' C ' ' A' ' 81' ' ' MET . 0.1 OUTLIER 161.85 120.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.446 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -83.93 -143.94 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.2 m170 45.96 -156.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.603 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 98.7 p -63.37 153.22 35.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.03 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.503 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 3.8 p30 179.3 55.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.519 ' O ' HG22 ' A' ' 91' ' ' VAL . 0.8 OUTLIER -68.86 -15.29 63.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -84.7 -37.56 20.8 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.515 1.134 . . . . 0.0 109.349 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 1.049 ' O ' ' HB3' ' A' ' 93' ' ' ALA . . . -81.88 -12.51 58.41 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.505 1.128 . . . . 0.0 109.355 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.573 ' HA ' ' CE1' ' A' ' 94' ' ' TYR . . . -88.86 6.42 39.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.425 1.078 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.633 HG23 ' H ' ' A' ' 92' ' ' SER . 7.6 m -137.62 -60.26 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 109.232 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.633 ' H ' HG23 ' A' ' 91' ' ' VAL . 0.2 OUTLIER -64.84 -24.96 67.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 110.007 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 1.049 ' HB3' ' O ' ' A' ' 89' ' ' ALA . . . -97.33 19.01 13.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.573 ' CE1' ' HA ' ' A' ' 90' ' ' ALA . 5.5 m-85 -123.51 -1.86 8.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.531 ' O ' ' CG ' ' A' ' 95' ' ' GLN . 1.2 pt20 -179.06 44.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 110.257 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.423 ' CG ' ' O ' ' A' ' 95' ' ' GLN . 0.8 OUTLIER -174.47 -89.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.245 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.765 ' O ' ' HB3' ' A' ' 98' ' ' ALA . . . -74.44 51.88 2.22 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.149 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.765 ' HB3' ' O ' ' A' ' 97' ' ' GLY . . . 93.97 131.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 0.752 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.521 ' CE1' ' OD2' ' A' ' 100' ' ' ASP . 1.8 p90 -89.23 -8.09 54.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.521 ' OD2' ' CE1' ' A' ' 99' ' ' PHE . 11.0 m-20 -99.87 -172.54 2.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.71 ' CD1' ' CG2' ' A' ' 80' ' ' ILE . 0.5 OUTLIER -176.29 140.97 0.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.858 ' CD1' HD13 ' A' ' 114' ' ' LEU . 0.9 OUTLIER -127.22 68.77 73.23 Favored Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.435 ' HD3' ' C ' ' A' ' 101' ' ' TYR . 18.3 Cg_endo -74.99 161.08 39.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.527 1.804 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.1 mttp 55.52 171.3 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 106' ' ' PHE . 18.6 Cg_endo -74.89 68.79 5.6 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.636 ' CE2' ' HB3' ' A' ' 102' ' ' LEU . 9.5 p90 -51.61 -171.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.566 1.166 . . . . 0.0 111.007 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.453 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 0.3 OUTLIER -109.31 -174.81 2.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.633 HD12 ' HB3' ' A' ' 22' ' ' ALA . 0.5 OUTLIER -74.48 -67.43 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.334 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.632 ' N ' HG22 ' A' ' 108' ' ' ILE . 0.5 OUTLIER -52.1 -44.43 64.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 7.3 mm-40 -63.58 -21.41 66.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.342 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.529 ' HB2' ' CD1' ' A' ' 106' ' ' PHE . . . -92.86 -49.16 6.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.798 HG11 ' HB2' ' A' ' 26' ' ' ALA . 61.2 t -67.48 -50.89 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 109.349 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 109' ' ' ASP . . . -58.1 -17.36 17.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.858 HD13 ' CD1' ' A' ' 102' ' ' LEU . 5.7 tt -84.23 -21.65 31.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.809 HG13 HG11 ' A' ' 50' ' ' VAL . 2.6 t -87.8 -28.71 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 0.0 109.238 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.0 -24.67 63.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.125 . . . . 0.0 110.276 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.461 ' HG3' ' N ' ' A' ' 118' ' ' ALA . 0.3 OUTLIER -86.31 -22.95 26.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.264 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.461 ' N ' ' HG3' ' A' ' 117' ' ' ARG . . . -83.81 -25.83 30.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.4 mt -73.66 -45.31 51.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.5 t -75.58 -16.5 60.23 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.142 . . . . 0.0 110.015 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -61.29 -19.07 61.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.596 1.185 . . . . 0.0 109.598 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -74.09 -37.81 64.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -89.76 110.98 21.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.238 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.226 179.96 . . . . . . . . 0 0 . 1 stop_ save_