data_1pyv_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 1pyv _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 core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.456 ' CB ' ' CZ ' ' A' ' 3' ' ' ARG . 7.7 ttp-105 70.49 -62.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.263 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -20.02 64.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.439 ' O ' ' CD2' ' A' ' 9' ' ' LEU . 11.0 tp -71.58 -41.72 68.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.54 ' CB ' ' CE1' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -53.16 -23.97 9.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.24 -63.25 1.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -53.71 -30.95 46.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.028 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.439 ' CD2' ' O ' ' A' ' 5' ' ' LEU . 4.1 mm? -67.15 -36.26 81.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.506 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 1.2 tm? -85.39 -51.68 6.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.485 ' CD ' ' HA ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -56.39 -25.14 48.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.497 ' CB ' ' O ' ' A' ' 8' ' ' SER . 2.5 tp-100 -84.45 -35.58 22.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.9 m -80.22 -18.6 49.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.979 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.38 -50.31 13.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -56.87 -19.64 18.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -99.48 6.91 45.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.331 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.29 -44.49 3.34 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 147.1 46.6 0.03 OUTLIER Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -124.94 -171.33 13.28 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.505 ' O ' ' CG1' ' A' ' 21' ' ' ILE . 0.6 OUTLIER 54.82 42.08 31.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.763 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.505 ' CG1' ' O ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER 166.84 -31.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.3 p -59.17 -54.94 41.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 27' ' ' ASN . 1.1 tpm_? -110.55 -36.35 5.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.72 -88.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.005 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.55 -15.37 57.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 109.253 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -82.2 -3.59 90.51 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 23' ' ' ARG . 9.0 t30 -69.58 -17.65 63.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 0.752 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 33' ' ' ALA . 2.3 m -150.82 52.55 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.77 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 4.5 tt -75.31 -35.0 1.75 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.093 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.77 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.3 Cg_endo -74.98 -25.07 12.25 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.452 1.764 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -85.53 10.26 13.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.57 34.12 0.78 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.993 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' SER . . . 63.68 28.16 14.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.004 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.02 -1.33 9.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.475 ' CB ' ' HD3' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -76.49 -55.0 1.72 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.992 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.475 ' HD3' ' CB ' ' A' ' 41' ' ' SER . 18.2 Cg_endo -75.04 -31.89 5.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.434 1.755 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.557 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -85.37 -23.32 28.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 48' ' ' ASN . . . -57.21 -56.9 22.58 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.54 ' CE1' ' CB ' ' A' ' 6' ' ' LEU . 7.1 t80 -50.78 -36.31 36.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.9 tp -85.19 -20.98 29.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.475 HD11 ' CD1' ' A' ' 29' ' ' ILE . 0.5 OUTLIER -84.09 -24.02 30.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 44' ' ' GLY . 31.8 t-20 -79.1 -31.83 44.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -29.68 64.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.43 -32.66 74.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.5 t -85.06 -28.55 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -64.4 -56.8 11.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 5' ' ' LEU . 1.4 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.92 -61.01 0.79 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.95 -39.21 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.455 ' CD1' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -62.57 -62.16 1.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.566 HD22 ' CZ ' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -48.87 -24.31 1.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' A' ' 5' ' ' LEU . . . -79.46 -55.16 5.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.404 1.065 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.28 -25.71 67.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.062 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.455 HD22 ' CD1' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -69.23 -32.08 71.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.476 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -78.43 -47.73 16.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 11' ' ' ARG . 15.2 mtp-105 -53.71 -53.48 51.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -54.17 -32.38 55.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.275 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.496 ' OG ' ' CG2' ' A' ' 21' ' ' ILE . 0.7 OUTLIER -79.04 -41.2 29.42 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.52 1.137 . . . . 0.0 110.005 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.07 -49.93 72.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -68.39 -13.65 62.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.319 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -28.32 64.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 79.12 -52.29 4.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.482 1.114 . . . . 0.0 111.088 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.87 -61.09 4.53 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.41 82.15 1.32 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.33 41.35 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.772 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.496 ' CG2' ' OG ' ' A' ' 13' ' ' SER . 10.0 tt -158.03 -45.01 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 t -53.77 -24.21 14.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.04 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 27' ' ' ASN . 5.9 ptm180 -123.46 -41.33 2.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.4 ' N ' ' HG3' ' A' ' 23' ' ' ARG . 0.5 OUTLIER -50.13 -92.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.984 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.64 -14.19 57.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.77 -20.95 69.8 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.563 1.164 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 23' ' ' ARG . 32.9 m-20 -89.98 -16.4 29.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.766 . . . . 0.0 109.328 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 33' ' ' ALA . 2.5 m -96.79 -2.12 44.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.027 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.514 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -64.54 -51.18 61.34 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -75.02 -13.48 21.35 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 111.022 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.0 tttp -87.12 10.98 15.02 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.86 26.61 1.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.979 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 28' ' ' SER . . . 66.1 27.88 10.4 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 33' ' ' ALA . 18.2 t . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.461 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -132.66 7.43 4.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.331 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.506 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.6 OUTLIER -81.0 -51.71 0.9 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.031 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.2 Cg_endo -74.97 -33.42 4.64 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.537 1.809 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.461 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -85.46 -34.66 21.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -40.06 -61.72 1.64 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.566 ' CZ ' HD22 ' A' ' 6' ' ' LEU . 2.1 t80 -46.34 -32.47 3.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 0.74 . . . . 0.0 110.97 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 43' ' ' LYS . 13.3 tp -85.13 -30.84 23.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' GLY . 2.9 mm? -74.22 -33.85 63.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -66.0 -35.09 79.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -36.89 78.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.62 -29.3 70.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 20.7 t -85.1 -25.34 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -66.57 -49.89 64.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.269 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.66 -53.29 3.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.18 -34.02 55.13 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.426 1.079 . . . . 0.0 110.336 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mt -81.29 -28.32 34.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.463 ' CD1' HD11 ' A' ' 46' ' ' LEU . 9.0 tp -71.81 -27.09 62.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 10' ' ' LEU . . . -72.9 -61.47 1.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.6 t -52.02 -24.54 6.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.974 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 39.7 mt -78.46 -28.64 46.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.509 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -84.35 -52.03 6.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.5 mtm180 -51.6 -33.72 34.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -74.09 -40.07 62.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.618 1.199 . . . . 0.0 110.265 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.4 p -76.14 -18.53 59.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 110.016 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.6 -46.78 11.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -68.65 -17.81 64.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -67.49 -25.23 65.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 16' ' ' ARG . . . 37.71 55.81 1.71 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.48 1.112 . . . . 0.0 110.965 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.51 45.75 0.83 Allowed Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.13 146.63 48.18 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.03 -56.13 26.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.335 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.502 ' CD1' ' C ' ' A' ' 21' ' ' ILE . 1.6 pp -69.38 -8.59 10.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.36 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.3 t -75.82 -29.96 58.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.027 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 27' ' ' ASN . 8.1 ptm180 -118.02 -35.31 3.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.386 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.9 m -72.17 -45.76 59.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.945 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.454 ' CD1' ' HB3' ' A' ' 32' ' ' SER . 0.2 OUTLIER -76.3 -10.53 59.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.413 ' C ' ' N ' ' A' ' 28' ' ' SER . . . -101.69 -32.32 5.14 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.397 1.06 . . . . 0.0 110.995 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 23' ' ' ARG . 1.4 m120 -44.82 -26.9 0.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 0.808 . . . . 0.0 109.248 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.413 ' N ' ' C ' ' A' ' 26' ' ' GLY . 0.2 OUTLIER -159.77 61.13 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 109.955 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.486 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.3 OUTLIER -40.21 -53.72 5.03 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.4 Cg_endo -74.98 54.26 3.58 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.14 -55.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.454 ' HB3' ' CD1' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -55.69 -51.19 68.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.054 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.32 -8.5 46.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.952 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -113.54 4.83 16.35 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.514 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -77.7 -51.13 1.87 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 110.017 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.5 Cg_endo -75.06 -33.32 4.61 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.437 1.756 . . . . 0.0 111.01 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.503 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -85.57 -30.5 23.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -46.64 -53.92 9.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -43.69 -35.8 1.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 0.746 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.463 HD11 ' CD1' ' A' ' 6' ' ' LEU . 4.7 tp -76.43 -38.15 55.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.464 HD12 ' CG1' ' A' ' 29' ' ' ILE . 0.7 OUTLIER -59.14 -40.41 85.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.02 -39.32 93.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -19.44 64.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.278 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.94 -35.88 74.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.9 t -85.13 -28.75 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.342 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -61.19 -47.73 84.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.242 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.024 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -46.4 -65.84 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.338 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -50.98 -37.17 43.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.417 ' C ' ' N ' ' A' ' 7' ' ' ALA . 0.2 OUTLIER -54.72 -70.0 0.11 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.93 -28.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.417 ' N ' ' C ' ' A' ' 5' ' ' LEU . . . -66.49 -62.48 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.495 ' O ' ' CB ' ' A' ' 12' ' ' GLN . 16.9 t -52.21 -32.37 36.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 110.048 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.468 HD21 ' CE ' ' A' ' 43' ' ' LYS . 8.6 mt -66.9 -34.94 78.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.472 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -85.41 -50.24 7.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.437 1.086 . . . . 0.0 109.378 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.48 ' CD ' ' HA ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -59.16 -24.83 63.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 110.229 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.495 ' CB ' ' O ' ' A' ' 8' ' ' SER . 2.1 tp60 -85.03 -33.99 22.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.8 p -78.74 -41.65 30.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.0 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.92 -36.13 62.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.246 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -81.46 -29.47 33.74 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.382 1.051 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -155.77 -92.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.41 1.069 . . . . 0.0 110.408 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 19' ' ' GLY . . . 66.5 8.55 46.43 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.449 1.093 . . . . 0.0 111.018 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' GLY . . . 37.75 30.48 0.07 OUTLIER Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 17' ' ' GLY . . . 39.65 55.02 2.75 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.61 -64.29 1.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.253 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 pp -66.41 -14.54 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.13 -17.17 16.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.429 1.08 . . . . 0.0 109.941 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -141.1 -45.8 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 110.335 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.6 m -51.55 -94.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 0.0 109.987 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -84.88 52.27 2.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.432 ' C ' ' N ' ' A' ' 28' ' ' SER . . . -150.74 -44.28 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.135 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -42.11 -28.35 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.425 0.721 . . . . 0.0 109.343 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.432 ' N ' ' C ' ' A' ' 26' ' ' GLY . 0.5 OUTLIER -161.24 68.14 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.551 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.4 OUTLIER -45.57 -49.89 33.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -75.03 55.74 4.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.458 1.768 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.429 ' CB ' ' O ' ' A' ' 30' ' ' PRO . 0.2 OUTLIER 169.07 -61.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.588 1.18 . . . . 0.0 109.201 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.2 -35.41 17.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.006 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.04 -21.28 11.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.229 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.9 m . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.978 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 44' ' ' GLY . . . -117.57 0.45 12.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.35 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.513 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.5 OUTLIER -73.08 -51.46 6.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.052 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.1 Cg_endo -75.08 -33.16 4.71 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.5 1.789 . . . . 0.0 110.946 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.519 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -85.21 -25.41 27.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -54.61 -52.6 44.35 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.558 1.161 . . . . 0.0 111.026 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.442 ' CD1' ' C ' ' A' ' 45' ' ' PHE . 5.2 t80 -44.72 -36.6 3.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 tt -79.2 -34.26 43.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.603 1.189 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.474 HD13 ' CD1' ' A' ' 29' ' ' ILE . 1.7 mm? -71.11 -40.37 71.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -56.58 -37.57 70.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -68.63 -38.99 80.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 110.221 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.92 -27.62 66.91 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.2 t -77.76 -48.17 24.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.102 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -40.41 -55.15 2.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.534 1.147 . . . . 0.0 111.017 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.505 ' HB3' ' CZ ' ' A' ' 45' ' ' PHE . 3.4 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -139.19 -47.36 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 -55.44 -37.55 67.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.57 1.169 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.8 -24.92 41.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.466 ' CD1' ' CE2' ' A' ' 45' ' ' PHE . 4.5 tp -72.13 -26.78 62.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.405 1.065 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.58 -63.19 1.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.138 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.9 m -51.15 -34.38 30.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.057 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.5 mt -71.12 -33.13 69.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.36 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -74.39 -53.04 10.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.439 ' NH1' ' HB3' ' A' ' 11' ' ' ARG . 14.4 mtp-105 -45.76 -51.19 13.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.403 ' HA ' ' NE2' ' A' ' 15' ' ' GLN . 31.8 tp60 -58.28 -34.89 71.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.4 p -75.62 -23.57 56.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.06 -50.95 9.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.095 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.441 ' C ' ' CG ' ' A' ' 16' ' ' ARG . 1.2 pt20 -72.54 -29.61 63.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.406 1.066 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.441 ' CG ' ' C ' ' A' ' 15' ' ' GLN . 0.7 OUTLIER 38.83 85.06 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.34 50.13 4.15 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.411 1.07 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.69 40.59 0.52 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 38.54 81.52 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.27 -65.47 1.01 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 0.733 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.405 HD13 ' N ' ' A' ' 22' ' ' SER . 0.1 OUTLIER -75.72 -5.68 7.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.143 . . . . 0.0 109.33 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.405 ' N ' HD13 ' A' ' 21' ' ' ILE . 0.4 OUTLIER -39.23 -85.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.992 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -142.55 24.3 1.91 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.7 -81.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.972 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.94 -12.0 60.25 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.615 1.197 . . . . 0.0 109.258 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.409 ' O ' ' CD ' ' A' ' 30' ' ' PRO . . . -70.87 -4.34 54.16 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.438 1.086 . . . . 0.0 111.004 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.402 ' C ' ' HD2' ' A' ' 30' ' ' PRO . 1.1 m-20 -87.79 -9.8 52.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.562 0.801 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 33' ' ' ALA . 80.2 p -90.61 -47.73 7.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.606 1.191 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.516 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.8 OUTLIER -40.7 -51.5 6.86 Favored Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.547 1.155 . . . . 0.0 109.324 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.4 Cg_endo -74.99 -26.09 11.27 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.495 1.787 . . . . 0.0 110.97 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 28' ' ' SER . 72.0 mttt -92.36 24.61 3.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 63.29 53.73 2.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.021 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 28' ' ' SER . . . 46.53 29.78 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.007 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 44' ' ' GLY . . . -118.51 1.19 11.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.494 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -74.45 -52.37 3.92 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.413 1.071 . . . . 0.0 109.966 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.4 Cg_endo -74.92 -30.65 7.08 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.389 1.731 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.453 ' HE3' ' CD2' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -85.2 -32.58 22.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.147 . . . . 0.0 109.36 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -55.93 -40.54 81.92 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.405 1.066 . . . . 0.0 111.039 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.505 ' CZ ' ' HB3' ' A' ' 2' ' ' SER . 5.8 t80 -54.04 -31.81 52.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 0.727 . . . . 0.0 110.982 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.0 tp -85.34 -33.91 21.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.344 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.453 ' CD2' ' HE3' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -72.71 -31.09 64.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -68.76 -34.36 75.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.73 -31.01 66.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.427 1.08 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.55 -33.38 74.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -84.98 -28.58 6.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.352 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.98 -51.74 68.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.15 -19.16 20.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 110.257 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -84.94 -34.8 22.41 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.536 1.147 . . . . 0.0 110.332 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 mt -81.75 -24.63 35.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 tp -73.3 -24.97 60.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.354 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.6 -58.81 3.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.379 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.48 ' HA ' ' CD ' ' A' ' 11' ' ' ARG . 22.3 t -52.73 -30.85 34.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.021 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -67.67 -35.75 79.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.409 HD23 ' N ' ' A' ' 11' ' ' ARG . 0.8 OUTLIER -85.38 -50.94 6.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.48 ' CD ' ' HA ' ' A' ' 8' ' ' SER . 2.4 ptm180 -57.5 -16.74 10.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.292 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.17 -43.61 13.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.14 -29.74 57.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.38 -40.9 94.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -74.6 -9.0 58.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.259 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -138.53 70.86 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.244 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -40.69 -48.19 3.99 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -40.81 -84.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 79.67 119.29 0.32 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.73 -33.68 18.62 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.44 0.729 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.4 mt -80.24 -14.25 13.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.98 -16.92 57.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.92 -38.01 3.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 110.247 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.7 m -64.59 -49.39 71.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.595 1.184 . . . . 0.0 110.045 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.427 ' CD2' ' HB3' ' A' ' 32' ' ' SER . 6.2 mt -85.07 -21.83 29.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.39 -23.15 68.18 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.563 1.164 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.06 -18.36 13.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.306 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 p 174.69 68.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.966 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.505 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 1.1 mt -50.3 -52.43 54.34 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.3 Cg_endo -75.04 63.47 6.03 Favored 'Trans proline' 0 C--N 1.358 1.072 0 O-C-N 124.533 1.807 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 30' ' ' PRO . 0.2 OUTLIER 164.29 -57.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.427 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . 58.0 m -62.95 -43.48 98.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.955 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.78 -15.18 52.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.084 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.406 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 5.3 mtt-85 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -93.5 9.32 37.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.591 1.182 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.494 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.4 OUTLIER -77.92 -51.89 1.67 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.3 Cg_endo -75.02 -34.25 3.95 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.494 1.786 . . . . 0.0 110.944 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.532 ' CD ' ' N ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -85.24 -27.05 26.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -48.54 -58.81 7.07 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.464 1.102 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.52 ' C ' ' CD1' ' A' ' 45' ' ' PHE . 1.6 t80 -44.24 -33.66 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 0.8 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 36.5 tp -85.16 -33.86 22.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.612 1.195 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.463 HD13 ' CD1' ' A' ' 29' ' ' ILE . 0.7 OUTLIER -72.09 -24.03 61.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 44' ' ' GLY . 19.1 t-20 -75.82 -39.54 56.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -23.97 64.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.239 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.2 -34.54 75.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.36 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -84.07 -26.49 7.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -55.24 33.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.9 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 75.51 -61.61 0.47 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 110.266 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.6 ttt85 -51.44 -36.02 42.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.411 ' C ' ' N ' ' A' ' 7' ' ' ALA . 0.8 OUTLIER -57.48 -75.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.361 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.479 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -46.4 -26.01 0.76 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.411 ' N ' ' C ' ' A' ' 5' ' ' LEU . . . -70.98 -63.12 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.3 t -61.91 -29.81 70.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.074 . . . . 0.0 110.015 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.8 tp -69.35 -25.91 64.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.496 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -83.38 -40.53 19.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.461 ' N ' ' CD1' ' A' ' 10' ' ' LEU . 5.9 mtp180 -61.3 -49.61 76.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.427 ' HA ' ' NE2' ' A' ' 15' ' ' GLN . 16.3 tp60 -59.78 -28.44 67.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 110.253 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -83.8 -55.11 4.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.051 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.56 -34.06 1.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.427 ' NE2' ' HA ' ' A' ' 12' ' ' GLN . 8.1 pt20 -85.89 -32.88 21.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 13' ' ' SER . 1.7 mpt_? -163.77 -98.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 48.4 22.49 2.51 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' LEU . . . 37.84 84.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.04 69.46 0.13 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 18' ' ' GLY . 0.2 OUTLIER -108.48 -17.85 13.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.77 . . . . 0.0 109.246 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.4 mp -100.3 -20.01 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.85 -20.61 37.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.965 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -111.59 -43.94 3.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.575 1.172 . . . . 0.0 110.31 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.16 -78.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.006 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.423 ' HB3' ' CD1' ' A' ' 47' ' ' LEU . 3.8 mm? -58.7 -23.98 60.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.24 -39.4 92.42 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.556 1.16 . . . . 0.0 111.034 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -77.94 -12.85 60.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 0.783 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.08 -13.18 22.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.01 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.518 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 1.0 OUTLIER -56.01 -51.9 76.86 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -74.98 -12.52 21.56 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.777 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -85.18 9.74 14.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.83 36.32 2.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.995 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 34' ' ' SER . . . 65.72 43.38 3.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 109.244 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 33' ' ' ALA . 95.3 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.581 1.175 . . . . 0.0 110.01 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 44' ' ' GLY . . . -117.37 -0.3 12.02 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.489 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -72.45 -52.5 6.65 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 0.0 109.949 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.2 Cg_endo -75.01 -33.53 4.49 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.454 1.765 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.555 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -85.48 -22.11 28.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.209 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -55.72 -57.34 19.31 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.589 1.181 . . . . 0.0 111.023 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.479 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 2.2 t80 -48.22 -37.91 17.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.6 tp -84.73 -22.24 29.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 43' ' ' LYS . 0.4 OUTLIER -81.42 -23.75 37.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' GLY . 2.3 t30 -84.97 -26.91 26.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -76.86 -20.1 56.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.432 ' N ' ' HG3' ' A' ' 49' ' ' ARG . . . -73.74 -30.77 63.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -84.97 -31.14 6.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.417 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 31.4 tp60 -67.09 -55.51 13.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 . . . . . 0 C--N 1.326 -0.428 0 O-C-N 124.402 1.064 . . . . 0.0 111.017 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 2.3 m . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 2' ' ' SER . 0.0 OUTLIER 160.83 -74.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -84.81 -15.18 45.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 tp -66.08 -34.2 77.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.259 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.1 tp -64.15 -23.15 67.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.16 -63.59 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.266 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.487 ' HA ' ' CD ' ' A' ' 11' ' ' ARG . 3.1 m -55.19 -31.47 61.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.038 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.419 ' CD1' ' HA ' ' A' ' 43' ' ' LYS . 2.1 mm? -67.43 -34.88 78.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.357 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.449 ' C ' ' CD2' ' A' ' 10' ' ' LEU . 1.4 tt -85.48 -47.96 9.43 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.475 1.109 . . . . 0.0 109.354 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.487 ' CD ' ' HA ' ' A' ' 8' ' ' SER . 2.0 ptm180 -62.65 -14.6 45.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.422 ' CB ' ' O ' ' A' ' 8' ' ' SER . 1.9 tm0? -85.14 -42.35 14.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.255 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.0 p -76.34 -36.92 57.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.033 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.36 -42.17 86.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.588 1.18 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 16' ' ' ARG . 6.0 pt20 -72.81 -28.36 62.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.384 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER 37.45 41.8 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -48.13 -72.75 0.4 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.575 1.172 . . . . 0.0 111.032 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -93.89 -77.34 1.37 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 152.67 69.64 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.0 tp -71.1 -38.32 72.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 22' ' ' SER . 14.4 tt -100.97 5.82 10.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 21' ' ' ILE . 31.3 t -39.1 -73.82 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -155.54 25.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.219 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.12 -85.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.042 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.459 ' HB3' ' CD1' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -77.83 -27.79 50.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.448 ' C ' ' N ' ' A' ' 28' ' ' SER . . . -66.92 -52.98 29.44 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.469 1.105 . . . . 0.0 110.995 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 26' ' ' GLY . 10.1 t30 -40.0 -29.88 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 0.727 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -147.81 62.67 1.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 110.032 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.54 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -43.87 -50.52 19.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.3 Cg_endo -75.04 -69.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.491 1.784 . . . . 0.0 110.975 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.425 ' CB ' ' OG ' ' A' ' 28' ' ' SER . 0.7 OUTLIER -39.04 -49.01 1.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 28' ' ' SER . 13.2 m -67.19 -43.27 82.55 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.48 1.113 . . . . 0.0 110.054 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 29' ' ' ILE . . . -59.47 -16.28 23.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 109.982 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.6 mtm180 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 44' ' ' GLY . . . -107.64 -9.28 15.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.537 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -75.13 -49.65 4.05 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.023 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.4 Cg_endo -74.97 -33.05 4.91 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.454 ' CD ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -85.63 -33.8 21.54 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -43.52 -52.95 6.17 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -44.95 -39.02 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.756 . . . . 0.0 110.988 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 22.5 tp -77.32 -31.94 54.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 25' ' ' LEU . 10.2 mt -71.6 -45.02 63.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -51.03 -39.72 56.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -26.95 57.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.335 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.87 -31.33 66.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -85.03 -23.04 7.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.89 -54.97 22.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.353 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 m . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -76.94 -57.97 3.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -54.45 -34.21 61.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 tp -58.15 -52.0 67.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.8 tp -41.97 -34.47 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.83 -64.38 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.093 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.501 ' O ' ' CG ' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -53.81 -31.7 50.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.082 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.497 ' CD2' ' O ' ' A' ' 42' ' ' PRO . 5.1 mp -61.87 -39.0 90.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.477 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -72.61 -50.23 26.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -55.38 -33.52 63.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.275 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.501 ' CG ' ' O ' ' A' ' 8' ' ' SER . 3.3 mm100 -67.54 -42.75 82.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.175 . . . . 0.0 110.351 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.2 p -78.77 -19.81 51.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 109.996 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.46 -50.0 10.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.353 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -63.41 -12.11 28.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.33 77.74 1.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.14 -37.35 79.59 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.67 -59.0 1.38 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.44 -99.84 1.9 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mp 62.25 14.46 6.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 8.5 mm -135.42 -46.55 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.0 109.245 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.87 -16.67 61.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.372 1.045 . . . . 0.0 109.966 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.15 -33.57 6.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.86 -39.76 34.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.033 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.09 -11.58 54.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.467 ' HA2' ' CD1' ' A' ' 29' ' ' ILE . . . -77.33 -11.84 85.13 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.54 -17.92 16.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.483 ' CB ' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -170.17 68.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.523 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 1.5 mt -76.94 -50.95 2.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.237 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -75.1 -12.21 21.31 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 0.0 110.967 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.483 ' HB2' ' CB ' ' A' ' 28' ' ' SER . 26.7 mttt -85.2 9.62 14.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.59 32.5 3.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 110.091 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 58.24 35.41 24.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.017 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 44' ' ' GLY . . . -119.93 -2.44 10.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.497 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -73.12 -51.84 5.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 109.986 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.497 ' O ' ' CD2' ' A' ' 9' ' ' LEU . 18.3 Cg_endo -75.02 -33.43 4.56 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.52 1.8 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.55 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -85.24 -24.5 27.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 48' ' ' ASN . . . -53.51 -56.51 19.58 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.403 1.064 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.417 ' HB3' ' CD2' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -48.01 -43.11 29.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 0.0 111.013 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.9 tp -80.11 -21.69 42.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.246 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.463 HD13 ' CG1' ' A' ' 29' ' ' ILE . 1.5 mm? -81.47 -22.99 37.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 44' ' ' GLY . 22.9 t-20 -81.96 -32.8 30.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -25.39 63.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.256 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.99 -42.27 98.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.47 HG22 ' CG2' ' A' ' 29' ' ' ILE . 2.3 t -85.29 -22.9 7.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -61.3 -47.37 86.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.975 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.417 ' HB2' ' CB ' ' A' ' 5' ' ' LEU . 24.9 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -93.88 -52.97 4.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.253 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.23 -21.78 33.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.253 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.438 ' C ' ' N ' ' A' ' 7' ' ' ALA . 1.1 mp -62.84 -70.61 0.2 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -40.67 -29.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.369 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.438 ' N ' ' C ' ' A' ' 5' ' ' LEU . . . -60.34 -67.13 0.42 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.525 ' O ' ' CG ' ' A' ' 12' ' ' GLN . 35.7 t -53.98 -38.67 65.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.03 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -63.12 -31.39 72.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.435 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -85.76 -47.15 10.01 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.363 179.901 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.521 ' CD ' ' HA ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -65.45 -28.24 69.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.366 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.525 ' CG ' ' O ' ' A' ' 8' ' ' SER . 5.7 mm-40 -85.34 -39.59 17.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 90.3 p -73.57 -32.17 64.01 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.463 1.102 . . . . 0.0 110.04 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.11 -40.23 95.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -78.18 -25.58 47.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.268 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 38.9 51.56 1.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.249 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -89.64 33.16 4.48 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.541 1.151 . . . . 0.0 111.031 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 119.7 63.48 0.27 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.459 ' O ' ' CB ' ' A' ' 22' ' ' SER . . . -115.79 102.15 1.07 Allowed Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 24' ' ' SER . 1.1 mt -62.2 -59.77 4.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 0.74 . . . . 0.0 109.222 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.415 ' CG1' ' HG2' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -48.6 -24.18 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 1.6 t -54.38 -25.9 27.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.97 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -141.29 -47.28 0.39 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 20' ' ' LEU . 1.9 m -42.8 -49.45 5.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.989 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.465 ' HB3' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -84.6 -22.81 29.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.52 -11.57 42.13 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 111.05 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -102.39 -13.34 17.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.586 0.815 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.98 -2.56 52.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.019 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.558 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 1.3 mm -68.58 -49.5 29.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.5 Cg_endo -75.0 -9.77 20.91 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.541 1.811 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -86.31 11.19 12.75 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.434 1.084 . . . . 0.0 109.341 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 72.8 m 66.11 40.07 4.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 34' ' ' SER . . . 65.03 44.46 3.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 33' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.968 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.01 4.86 45.03 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.531 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.5 OUTLIER -77.39 -50.16 2.15 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.046 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.2 Cg_endo -75.01 -33.4 4.6 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.478 1.778 . . . . 0.0 111.049 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.501 ' CD ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -85.67 -32.65 21.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -42.75 -56.98 4.14 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -45.72 -31.84 2.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 0.797 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 9' ' ' LEU . 8.1 mt -84.83 -32.93 23.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 25' ' ' LEU . 7.2 mt -72.63 -37.32 68.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.249 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -59.74 -38.03 80.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.13 -25.99 58.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.8 -30.71 68.31 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.415 HG11 ' N ' ' A' ' 52' ' ' GLN . 0.3 OUTLIER -85.09 -28.11 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.415 ' N ' HG11 ' A' ' 51' ' ' VAL . 38.8 tp60 -63.94 -55.98 18.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.356 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 179.955 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.573 ' O ' ' CE2' ' A' ' 45' ' ' PHE . 52.7 p . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.08 -60.34 2.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.408 ' HB2' ' NH1' ' A' ' 4' ' ' ARG . 1.5 mtm105 -56.92 -24.47 52.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.419 ' CB ' ' HB2' ' A' ' 2' ' ' SER . 10.6 tp -68.01 -37.82 81.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.436 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 1.4 tt -58.07 -24.82 59.99 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.488 1.118 . . . . 0.0 109.357 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.51 -66.83 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.41 ' O ' ' CG ' ' A' ' 12' ' ' GLN . 24.5 t -55.39 -35.82 65.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 0.0 109.978 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.9 mt -59.05 -40.3 84.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.6 -52.39 21.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 11' ' ' ARG . 14.8 mtp-105 -52.84 -31.96 41.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 110.333 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.41 ' CG ' ' O ' ' A' ' 8' ' ' SER . 4.0 mm-40 -72.63 -41.37 65.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.3 p -76.26 -32.62 58.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.13 -44.49 79.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 16' ' ' ARG . 5.4 pt20 -76.29 -24.5 54.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' GLN . 0.4 OUTLIER 38.25 73.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.286 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.09 -47.49 11.14 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.57 -65.1 0.26 Allowed Glycine 0 CA--C 1.529 0.964 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.64 61.28 0.01 OUTLIER Glycine 0 CA--C 1.529 0.929 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.12 -33.98 77.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 0.748 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.495 ' O ' ' CG2' ' A' ' 21' ' ' ILE . 28.7 mm -131.49 9.71 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.3 -86.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.31 10.31 11.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.259 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 m -82.14 -94.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.962 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.495 ' O ' ' CD1' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -84.98 47.93 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.93 -48.73 0.04 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -51.11 -22.44 2.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 0.785 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 32' ' ' SER . 55.5 m -138.9 63.48 1.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.615 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -58.69 -45.26 99.65 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.248 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.5 Cg_endo -75.0 -46.41 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.415 1.745 . . . . 0.0 111.028 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.463 ' CB ' ' HB3' ' A' ' 28' ' ' SER . 0.0 OUTLIER -64.64 -61.42 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.35 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 28' ' ' SER . 16.5 m -50.8 -22.26 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.059 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.06 -17.09 15.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 53.1 m . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.055 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 44' ' ' GLY . . . -115.47 0.88 13.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.5 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -72.41 -52.25 6.93 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.1 . . . . 0.0 109.993 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.4 Cg_endo -74.92 -33.98 4.28 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.485 1.781 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.525 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 1.9 mmtt -85.55 -20.72 29.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -56.53 -57.01 21.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.544 1.153 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.573 ' CE2' ' O ' ' A' ' 2' ' ' SER . 33.4 t80 -44.96 -40.48 6.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 111.007 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.404 ' CD1' ' HG ' ' A' ' 6' ' ' LEU . 7.6 tp -76.9 -30.64 56.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.495 ' CD1' ' O ' ' A' ' 25' ' ' LEU . 4.0 mm? -71.96 -43.2 65.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -54.26 -41.74 69.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.406 ' NH2' ' OE1' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -61.62 -41.8 97.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.601 ' O ' ' CD1' ' A' ' 53' ' ' TYR . . . -64.45 -50.89 65.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 17.2 t -46.86 -34.12 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.357 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -44.69 -62.98 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.352 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.7 p . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -68.9 -18.65 64.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -78.28 -34.3 48.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.283 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.42 ' N ' HD21 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -60.4 -68.15 0.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.517 ' HB3' ' CE2' ' A' ' 45' ' ' PHE . 1.6 pp -48.04 -33.89 8.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.04 -56.13 14.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 12' ' ' GLN . 53.5 m -54.11 -28.2 37.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.1 mt -70.61 -35.95 73.24 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.433 1.083 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.506 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -85.34 -48.74 8.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.479 ' CD ' ' HA ' ' A' ' 8' ' ' SER . 2.4 ptm180 -59.36 -27.12 65.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.489 ' CB ' ' O ' ' A' ' 8' ' ' SER . 2.8 tp60 -85.03 -31.5 23.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.2 p -81.68 -20.12 40.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.985 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.41 -39.79 37.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -80.23 2.06 25.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -90.43 16.72 8.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 37.74 62.62 0.96 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 154.48 -55.22 0.42 Allowed Glycine 0 CA--C 1.531 1.061 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.76 136.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.14 -46.46 16.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 0.811 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.474 ' CG1' HD21 ' A' ' 47' ' ' LEU . 10.2 tp -92.68 9.71 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.8 -51.66 9.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.932 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -164.78 28.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 110.277 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.36 -65.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.03 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.409 ' HB2' ' CD1' ' A' ' 21' ' ' ILE . 0.3 OUTLIER -81.61 -24.44 36.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.147 . . . . 0.0 109.36 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.75 -17.05 62.22 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.472 1.108 . . . . 0.0 110.975 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.2 -12.03 29.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 33' ' ' ALA . 1.4 m -93.62 -10.45 34.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.991 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.501 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.4 OUTLIER -71.65 -53.0 7.74 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.591 1.182 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.4 Cg_endo -74.92 -13.85 21.48 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.524 1.802 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.442 ' CG ' ' HB2' ' A' ' 34' ' ' SER . 15.9 tttt -86.99 12.42 11.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.28 34.16 5.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.46 1.1 . . . . 0.0 110.049 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' SER . . . 72.54 47.39 0.25 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.127 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 33' ' ' ALA . 9.2 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.409 ' O ' ' CA ' ' A' ' 44' ' ' GLY . . . -120.32 -2.98 10.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.465 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -74.76 -53.78 3.05 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.0 Cg_endo -74.96 -32.87 5.09 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.477 1.777 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.551 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -85.44 -24.02 27.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -52.75 -62.04 6.24 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.548 1.155 . . . . 0.0 111.044 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.517 ' CE2' ' HB3' ' A' ' 6' ' ' LEU . 1.7 t80 -43.57 -34.92 1.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 0.728 . . . . 0.0 111.018 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.7 tt -84.25 -34.19 23.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.347 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.474 HD21 ' CG1' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -70.67 -29.88 66.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 44' ' ' GLY . 0.8 OUTLIER -70.44 -37.23 74.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.63 -27.19 64.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 110.336 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.58 ' HA ' ' CD2' ' A' ' 53' ' ' TYR . . . -75.11 -51.94 12.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -61.18 -15.65 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.68 -50.98 11.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.637 ' CD1' ' C ' ' A' ' 53' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.411 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 80.7 p . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.411 ' CB ' ' O ' ' A' ' 2' ' ' SER . 0.0 OUTLIER 78.24 -60.86 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.255 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.59 -30.65 67.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.27 -68.03 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.43 -29.43 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 10' ' ' LEU . . . -65.8 -64.3 0.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.466 ' O ' ' CG ' ' A' ' 12' ' ' GLN . 0.9 OUTLIER -49.76 -31.24 11.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 110.007 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.44 ' HB3' ' CD1' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -74.43 -32.95 62.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.463 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -74.59 -41.03 61.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 109.327 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.447 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 29.9 mtp180 -65.87 -21.42 66.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.334 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.466 ' CG ' ' O ' ' A' ' 8' ' ' SER . 9.3 mm-40 -78.18 -43.5 28.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.32 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.1 t -75.53 -30.38 59.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.045 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.6 -44.98 73.18 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 11' ' ' ARG . 4.6 pt20 -74.7 -30.76 61.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 38.79 85.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -118.14 51.06 0.76 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.538 1.149 . . . . 0.0 110.951 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 151.39 -65.63 0.36 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.6 67.04 0.94 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.74 -10.71 20.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.767 . . . . 0.0 109.213 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.474 ' CD1' ' HB3' ' A' ' 43' ' ' LYS . 0.7 OUTLIER -116.0 -1.92 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 109.34 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.0 m -109.37 -22.75 11.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -103.71 -46.79 4.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.61 -72.93 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.975 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.483 ' CD1' ' OG ' ' A' ' 32' ' ' SER . 1.6 mm? -84.13 48.79 1.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.167 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -137.45 -62.31 0.05 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.554 1.159 . . . . 0.0 111.063 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -52.96 -21.16 4.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 0.785 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.51 ' O ' ' N ' ' A' ' 32' ' ' SER . 62.9 m -145.74 53.23 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 110.044 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.547 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -43.47 -50.08 17.07 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.1 Cg_endo -74.94 -65.66 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.482 1.78 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.31 -58.05 3.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 28' ' ' SER . 22.3 p -56.78 -37.43 71.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.996 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 29' ' ' ILE . . . -65.66 -10.99 41.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.259 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.071 179.941 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.48 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 31.1 mtt180 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.408 ' O ' ' HA3' ' A' ' 44' ' ' GLY . . . -94.53 8.85 40.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.547 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.5 OUTLIER -80.05 -49.05 1.29 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 41' ' ' SER . 17.9 Cg_endo -75.15 -34.29 3.81 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.486 1.782 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.48 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 3.5 mtpt -85.48 -38.3 18.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -37.35 -53.38 1.71 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.123 . . . . 0.0 111.046 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -44.01 -44.75 7.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 111.026 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.44 ' CD1' ' HB3' ' A' ' 9' ' ' LEU . 1.7 tp -73.17 -30.21 63.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.25 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' GLY . 10.7 mt -71.85 -46.99 56.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.59 1.181 . . . . 0.0 109.242 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -50.05 -39.5 42.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.417 1.073 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.33 -23.28 43.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.31 -30.39 57.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -85.02 -25.77 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -48.7 68.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.353 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.005 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 69.72 -60.19 0.48 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 0.0 110.323 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -54.96 -32.63 61.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.342 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.1 tp -66.15 -33.75 76.48 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.578 1.174 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.2 tp -64.69 -26.75 68.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.09 -62.4 1.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.92 -28.64 17.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.979 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.8 -32.01 70.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.435 ' C ' ' CD2' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -81.45 -46.14 15.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.342 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.53 -19.21 56.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -85.01 -40.55 16.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.3 t -77.29 -24.33 51.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 110.049 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.38 -39.07 48.59 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 109.238 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -79.85 -4.3 51.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 110.254 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -101.37 -24.21 14.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.265 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.67 -56.22 3.79 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 159.43 50.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -107.59 -50.91 0.78 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -61.81 -16.8 52.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.763 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.9 tt -125.27 14.6 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.17 . . . . 0.0 109.249 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.5 t -42.35 -49.31 5.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.974 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.01 37.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.347 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.42 -72.41 0.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.421 1.075 . . . . 0.0 109.991 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.457 HD12 ' CB ' ' A' ' 40' ' ' ALA . 14.5 mt -84.82 -29.13 25.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.38 -22.89 63.91 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -54.54 -20.16 7.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.409 0.711 . . . . 0.0 109.353 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.6 63.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.928 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.595 ' CG2' ' CG2' ' A' ' 51' ' ' VAL . 0.5 OUTLIER -45.76 -51.31 30.22 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -74.99 54.66 3.71 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.49 1.784 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 32' ' ' SER . 0.3 OUTLIER 175.51 -59.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.433 ' C ' ' N ' ' A' ' 34' ' ' SER . 2.9 m -65.58 -40.62 92.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.173 . . . . 0.0 109.953 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -39.91 -30.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.433 ' N ' ' C ' ' A' ' 32' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 109.954 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.462 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 3.5 tpp85 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.457 ' CB ' HD12 ' A' ' 25' ' ' LEU . . . -132.57 5.67 4.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.508 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -83.78 -51.77 0.61 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.989 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.5 Cg_endo -74.98 -33.09 4.87 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.587 1.835 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.462 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -85.76 -35.79 20.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.598 1.186 . . . . 0.0 109.25 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 48' ' ' ASN . . . -45.65 -43.44 11.32 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.494 1.121 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -54.44 -38.96 66.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 111.087 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.7 tp -85.34 -23.08 28.21 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.423 1.077 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.59 ' CD1' ' CD1' ' A' ' 29' ' ' ILE . 1.1 mm? -80.13 -27.46 39.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 44' ' ' GLY . 1.0 OUTLIER -78.7 -29.74 45.64 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.586 1.179 . . . . 0.0 109.305 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 50' ' ' ALA . 1.9 ppt_? -74.45 -21.34 59.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.418 ' N ' ' HG3' ' A' ' 49' ' ' ARG . . . -74.36 -28.59 61.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.595 ' CG2' ' CG2' ' A' ' 29' ' ' ILE . 29.0 t -74.94 -59.95 2.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.566 1.166 . . . . 0.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -44.3 -38.63 4.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.097 . . . . 0.0 110.991 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.17 -57.7 3.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -52.43 -32.35 38.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 tp -56.7 -59.25 5.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.511 ' HB2' ' CE1' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -46.52 -35.35 5.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.231 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.76 -63.53 1.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.4 m -58.17 -31.49 67.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.028 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.466 ' HB3' ' CD2' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -65.72 -32.2 73.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.147 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.421 HD13 ' N ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -78.43 -50.69 11.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 109.269 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 11' ' ' ARG . 15.4 mtp-105 -50.85 -52.25 43.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.251 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -51.6 -39.76 58.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.446 1.091 . . . . 0.0 110.26 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.64 -31.26 59.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 109.99 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.76 -33.96 74.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.51 -51.11 6.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.334 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 56.49 91.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -98.25 -54.4 1.18 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -114.58 -55.39 0.39 Allowed Glycine 0 CA--C 1.531 1.061 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.49 -101.25 0.38 Allowed Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 mp 53.62 22.93 3.28 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.47 0.747 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 17.2 tt -143.44 -47.08 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.248 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.78 -19.57 32.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.01 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -93.83 -54.11 3.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.395 1.06 . . . . 0.0 110.248 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.7 m -66.07 -89.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.027 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.471 HD13 ' CB ' ' A' ' 40' ' ' ALA . 2.0 mt -80.52 55.03 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.237 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.2 -46.51 0.05 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.476 1.11 . . . . 0.0 110.943 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -52.5 -21.13 3.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 0.745 . . . . 0.0 109.333 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -166.72 78.21 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.65 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -63.45 -43.91 80.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.6 Cg_endo -74.98 0.58 8.72 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.504 1.792 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -137.62 16.45 2.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 28' ' ' SER . 1.7 m -111.35 -42.47 3.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 110.088 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.69 -13.73 35.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.584 1.178 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.03 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.471 ' CB ' HD13 ' A' ' 25' ' ' LEU . . . -98.29 0.31 45.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.494 ' CB ' ' HD3' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -68.78 -55.78 10.56 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.04 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.494 ' HD3' ' CB ' ' A' ' 41' ' ' SER . 18.2 Cg_endo -75.01 -28.43 9.16 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.504 1.792 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.473 ' CD ' ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -85.08 -23.51 28.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -63.81 -50.02 64.14 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.511 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 6.3 t80 -46.08 -32.69 3.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 0.784 . . . . 0.0 111.006 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 9' ' ' LEU . 6.6 tp -84.35 -32.74 24.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.515 ' CD1' ' CD1' ' A' ' 29' ' ' ILE . 1.3 mm? -73.64 -34.16 64.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 44' ' ' GLY . 1.3 m-20 -62.88 -39.66 95.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.23 -38.39 90.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.609 ' O ' ' CD1' ' A' ' 53' ' ' TYR . . . -52.13 -38.33 57.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.474 ' CG2' HG22 ' A' ' 29' ' ' ILE . 85.9 t -84.21 -27.52 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.51 -55.56 32.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.157 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.609 ' CD1' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.02 -49.74 39.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.239 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.88 -39.21 84.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 tp -62.07 -51.55 67.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.567 ' HB2' ' CD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -52.22 -45.81 65.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.499 ' N ' ' CD1' ' A' ' 6' ' ' LEU . . . -56.86 -58.46 8.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.87 -23.48 2.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.944 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.465 ' HB3' ' CD2' ' A' ' 46' ' ' LEU . 1.1 mm? -81.53 -31.76 32.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.496 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -80.87 -47.95 13.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.365 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.409 ' N ' ' CD1' ' A' ' 10' ' ' LEU . 21.3 mtm180 -54.74 -50.75 67.62 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.448 1.092 . . . . 0.0 110.285 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -49.17 -43.57 42.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 110.341 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.07 -29.75 60.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.965 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.71 -32.82 73.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.184 . . . . 0.0 109.243 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.35 -51.49 6.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.152 . . . . 0.0 110.335 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.24 -42.04 4.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.413 1.071 . . . . 0.0 110.291 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.4 -52.69 3.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.55 -60.32 5.93 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' OG ' ' A' ' 22' ' ' SER . . . 79.31 90.86 0.41 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.44 -54.94 5.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 0.746 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.466 ' CG2' HD21 ' A' ' 47' ' ' LEU . 1.3 mp -56.71 -18.64 7.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 19' ' ' GLY . 23.5 p -52.89 -57.62 9.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.979 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -102.32 -33.18 9.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.334 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.7 t -53.92 -86.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.966 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.17 54.61 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.42 ' C ' ' N ' ' A' ' 28' ' ' SER . . . -140.08 -44.47 0.07 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.432 1.082 . . . . 0.0 111.027 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -45.07 -26.52 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 0.792 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 26' ' ' GLY . 12.0 p -112.48 48.89 0.96 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.95 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.474 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.6 OUTLIER -77.64 -53.71 1.5 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.4 Cg_endo -74.98 -10.37 21.21 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.508 1.793 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -78.71 2.44 19.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 71.41 33.14 1.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.969 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 54.02 27.41 7.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.002 179.922 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.48 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.417 ' O ' ' HA3' ' A' ' 44' ' ' GLY . . . -93.6 12.28 25.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.51 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.5 OUTLIER -81.92 -51.39 0.81 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.959 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.2 Cg_endo -75.05 -33.93 4.16 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.777 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.48 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 0.4 OUTLIER -85.5 -36.84 20.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -38.07 -56.71 1.78 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.567 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 5.9 t80 -44.84 -38.46 4.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 0.733 . . . . 0.0 111.043 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.465 ' CD2' ' HB3' ' A' ' 9' ' ' LEU . 55.2 tp -78.98 -31.49 44.91 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.469 HD11 ' CD1' ' A' ' 29' ' ' ILE . 4.3 mm? -72.48 -36.93 68.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.426 1.079 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.59 -37.12 85.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.595 1.185 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -32.28 71.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.13 -34.98 72.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -85.19 -29.29 6.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -59.91 -48.54 81.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 110.973 -179.949 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.68 -44.53 85.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -38.68 90.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.587 1.179 . . . . 0.0 110.253 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.444 ' C ' ' CD1' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -65.57 -55.89 15.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.16 . . . . 0.0 109.284 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.559 ' HB2' ' CD1' ' A' ' 45' ' ' PHE . 2.4 tp -56.31 -24.96 46.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.39 -55.25 5.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.248 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.99 -25.75 61.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.992 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.55 -29.72 61.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.461 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -79.06 -46.23 18.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.424 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 68.7 mtp180 -54.03 -37.89 64.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.2 tp60 -69.98 -35.4 74.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.1 t -77.86 -32.11 51.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.1 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.53 -49.43 59.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.424 ' NE2' ' O ' ' A' ' 11' ' ' ARG . 4.9 pt20 -68.79 -14.23 62.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.7 mtt85 -140.58 68.97 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.3 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -40.53 -36.68 1.06 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.541 1.15 . . . . 0.0 111.02 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -47.26 -79.19 0.07 OUTLIER Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 65.23 108.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mt -74.19 -42.58 59.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 0.0 109.352 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.86 -10.67 13.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.08 -19.81 65.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.957 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.51 -56.23 1.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.21 -44.3 22.34 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 110.067 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.15 -22.5 28.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.507 ' CA ' ' CD1' ' A' ' 29' ' ' ILE . . . -82.93 11.08 55.74 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -69.86 -16.92 63.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.424 0.72 . . . . 0.0 109.305 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 m -146.13 60.03 1.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.422 1.076 . . . . 0.0 109.996 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.507 ' CD1' ' CA ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -82.16 -52.17 0.74 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.3 Cg_endo -75.01 0.91 8.34 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.533 1.807 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.52 14.09 17.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.589 1.18 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.4 m 67.69 41.87 2.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.057 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 59.18 39.33 23.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.219 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.007 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 44' ' ' GLY . . . -116.41 2.11 13.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.517 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.6 OUTLIER -73.35 -51.26 5.83 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.952 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.4 Cg_endo -74.93 -33.41 4.71 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.589 1.836 . . . . 0.0 111.033 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.56 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -85.43 -25.32 27.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -55.09 -47.27 74.55 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.559 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 1.3 t80 -52.36 -41.06 62.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 0.782 . . . . 0.0 110.961 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.485 ' CD1' ' HD3' ' A' ' 49' ' ' ARG . 0.9 OUTLIER -85.16 -16.03 41.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.17 -30.31 24.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' GLY . 2.0 t30 -81.85 -31.87 31.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.485 ' HD3' ' CD1' ' A' ' 46' ' ' LEU . 4.2 ptm180 -74.86 -11.86 60.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.95 -37.27 40.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.472 ' CG2' ' HB ' ' A' ' 29' ' ' ILE . 2.3 t -71.52 -58.21 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.414 ' HG3' ' N ' ' A' ' 53' ' ' TYR . 13.6 pt20 -40.19 -42.64 1.52 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 110.288 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.414 ' N ' ' HG3' ' A' ' 52' ' ' GLN . 1.4 m-30 . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 m . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -45.84 -68.25 0.21 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.43 1.081 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -38.3 19.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.429 ' C ' ' N ' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -54.09 -77.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.573 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -42.86 -28.33 0.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.429 ' N ' ' C ' ' A' ' 5' ' ' LEU . . . -71.24 -57.97 3.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.5 p -60.89 -24.22 65.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.64 -26.8 62.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.386 1.054 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.503 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -84.6 -45.56 12.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.407 ' N ' ' CD1' ' A' ' 10' ' ' LEU . 57.4 mtp180 -58.36 -36.52 73.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.239 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -72.75 -32.72 65.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 t -78.16 -33.54 50.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 110.055 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.64 -42.92 70.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -75.45 -11.89 60.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.51 1.131 . . . . 0.0 110.333 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -57.42 -33.91 68.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.224 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.88 -52.55 3.97 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.557 1.161 . . . . 0.0 111.02 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.0 -59.67 8.24 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 154.45 -91.6 0.13 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mt 66.75 25.92 9.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 0.805 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 12.1 tt -159.95 -44.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.41 -61.08 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.941 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.3 ptt-85 -157.51 26.68 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.1 m -75.05 -96.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.403 ' CD1' ' HB3' ' A' ' 32' ' ' SER . 4.2 tp -84.13 7.18 19.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.44 ' C ' ' N ' ' A' ' 28' ' ' SER . . . -86.68 -36.62 9.25 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.553 1.158 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -43.46 -26.9 0.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.44 ' N ' ' C ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -154.24 83.52 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.962 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.714 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -75.63 -39.48 2.97 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.714 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.4 Cg_endo -75.05 -11.32 21.38 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.537 1.809 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.8 -0.7 14.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.403 ' HB3' ' CD1' ' A' ' 25' ' ' LEU . 55.6 p -89.14 -34.2 16.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.031 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.46 -15.39 26.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.127 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.5 p . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.565 1.166 . . . . 0.0 109.962 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 44' ' ' GLY . . . -93.15 -0.98 56.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.51 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -74.11 -51.62 4.66 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 110.058 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.4 Cg_endo -75.05 -31.95 5.72 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.5 1.789 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.501 ' CD ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -85.56 -32.18 22.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -46.36 -54.1 8.93 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.601 1.188 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.573 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 2.2 t80 -45.01 -33.43 2.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.466 ' CD1' HD12 ' A' ' 6' ' ' LEU . 11.5 tp -82.7 -34.35 27.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 44' ' ' GLY . 0.1 OUTLIER -70.4 -37.87 74.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -59.65 -43.95 93.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.155 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -66.6 -26.57 67.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.27 -38.26 88.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 38.3 t -85.11 -26.07 6.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.18 -54.61 34.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.417 1.073 . . . . 0.0 111.047 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.411 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 10.2 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.498 ' O ' ' CB ' ' A' ' 7' ' ' ALA . 4.7 mtt85 -44.38 -38.7 4.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.435 1.084 . . . . 0.0 110.291 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -65.34 -41.41 93.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 110.252 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.411 ' HB2' ' CB ' ' A' ' 2' ' ' SER . 3.5 tp -66.82 -59.27 3.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -59.55 -17.98 37.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 3' ' ' ARG . . . -77.09 -59.39 2.8 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.508 1.13 . . . . 0.0 109.368 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.6 t -50.7 -30.52 13.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.042 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.15 -28.52 54.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.47 ' C ' ' CD2' ' A' ' 10' ' ' LEU . 3.3 tt -84.4 -53.63 5.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.503 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 18.6 mtm180 -48.95 -23.03 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -85.21 -40.9 16.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.348 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.7 t -73.67 -26.05 60.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.932 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.74 -31.04 71.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.433 1.083 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 11' ' ' ARG . 0.2 OUTLIER -85.28 -45.63 11.77 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.57 1.169 . . . . 0.0 110.322 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -38.21 -31.39 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.27 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 15' ' ' GLN . . . 77.71 -52.96 3.61 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.478 1.111 . . . . 0.0 110.975 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.24 -64.94 2.77 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.79 110.79 0.09 OUTLIER Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.19 -68.4 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.403 HG23 ' CD ' ' A' ' 43' ' ' LYS . 2.5 pp -52.21 -22.05 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.29 -22.49 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.989 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.2 ptt-85 -146.91 -45.82 0.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 m -43.15 -89.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.432 ' HB3' ' CD1' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -70.31 -25.22 63.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.71 -23.52 63.21 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.442 1.089 . . . . 0.0 110.995 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -86.39 -15.0 41.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 0.72 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.97 -10.37 36.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 0.0 109.972 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.495 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -68.3 -53.31 18.63 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.3 Cg_endo -74.97 -10.46 21.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.78 . . . . 0.0 111.02 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -82.48 6.27 17.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 69.08 34.88 2.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 34' ' ' SER . . . 71.92 48.04 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 33' ' ' ALA . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.966 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -93.46 7.17 45.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.5 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.5 OUTLIER -77.58 -51.54 1.86 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.4 Cg_endo -75.0 -32.33 5.46 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.515 1.797 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.403 ' CD ' HG23 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -85.84 -33.37 21.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -44.25 -53.02 6.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.553 ' CD1' ' N ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -46.35 -38.43 8.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.774 . . . . 0.0 110.976 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.553 ' N ' ' CD1' ' A' ' 45' ' ' PHE . 12.1 tp -84.92 -23.57 28.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.257 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.475 ' CD2' HG13 ' A' ' 29' ' ' ILE . 0.2 OUTLIER -76.79 -34.03 57.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -70.44 -36.04 73.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.448 ' CZ ' ' HA ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -69.19 -22.23 63.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.35 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.448 ' HA ' ' CZ ' ' A' ' 49' ' ' ARG . . . -64.52 -38.75 92.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.244 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.409 ' CG2' HG21 ' A' ' 29' ' ' ILE . 33.6 t -82.93 -32.8 9.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.448 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 37.4 tp60 -48.51 -48.16 38.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 110.253 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.463 1.102 . . . . 0.0 110.956 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.46 -57.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -31.65 72.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tp -66.19 -22.88 66.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.442 ' CD1' ' HD3' ' A' ' 49' ' ' ARG . 26.1 tp -69.53 -26.29 64.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.33 -62.55 1.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -32.81 41.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 mt -68.27 -34.5 76.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.371 1.044 . . . . 0.0 109.368 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -74.48 -52.81 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -53.98 -55.45 27.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.232 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.416 ' HA ' ' NE2' ' A' ' 15' ' ' GLN . 6.7 tp-100 -50.65 -26.27 5.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.409 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 1.7 t -95.11 -23.5 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -75.19 -44.66 45.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' A' ' 12' ' ' GLN . 2.8 pt20 -59.86 -18.96 48.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.409 ' NE ' ' HA ' ' A' ' 13' ' ' SER . 24.7 ptt180 -118.44 51.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.72 -20.97 4.47 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.6 -54.81 1.75 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.21 -118.88 1.06 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mp 57.21 25.77 11.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.358 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' A' ' 22' ' ' SER . 19.1 mm -150.67 -45.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 21' ' ' ILE . 11.7 t -36.86 -72.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -122.14 21.05 10.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.4 t -85.24 -82.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.95 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.78 -14.11 59.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.478 ' HA2' ' CD1' ' A' ' 29' ' ' ILE . . . -78.91 4.62 60.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.558 1.161 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.9 -32.18 73.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.62 65.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.495 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -80.72 -52.17 0.92 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -74.98 -2.53 12.65 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -95.88 19.3 11.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.225 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.5 m 60.73 35.39 19.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 53.25 41.15 32.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.472 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 2.9 mpp_? . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.406 ' O ' ' HA3' ' A' ' 44' ' ' GLY . . . -130.8 6.16 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.523 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -80.33 -50.02 1.15 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.039 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.3 Cg_endo -75.02 -34.12 4.04 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.521 1.8 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 1.3 mttt -85.6 -34.73 21.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -40.71 -54.02 3.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -44.8 -35.91 2.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 110.947 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.434 HD13 ' CD1' ' A' ' 6' ' ' LEU . 16.6 tp -82.8 -31.89 27.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' GLY . 2.6 mm? -72.48 -33.17 66.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -63.99 -41.4 97.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 49' ' ' ARG . 0.8 OUTLIER -63.51 -36.29 83.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 110.332 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.8 -31.85 66.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.402 ' CG2' ' HB ' ' A' ' 29' ' ' ILE . 53.8 t -81.4 -39.39 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -57.25 12.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 111.034 -179.99 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.46 -57.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 -179.929 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -31.65 72.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tp -66.19 -22.88 66.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.442 ' CD1' ' HD3' ' A' ' 49' ' ' ARG . 26.1 tp -69.53 -26.29 64.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.33 -62.55 1.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -32.81 41.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 mt -68.27 -34.5 76.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.371 1.044 . . . . 0.0 109.368 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -74.48 -52.81 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -53.98 -55.45 27.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.232 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.416 ' HA ' ' NE2' ' A' ' 15' ' ' GLN . 6.7 tp-100 -50.65 -26.27 5.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.409 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 1.7 t -95.11 -23.5 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -75.19 -44.66 45.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' A' ' 12' ' ' GLN . 2.8 pt20 -59.86 -18.96 48.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.409 ' NE ' ' HA ' ' A' ' 13' ' ' SER . 24.7 ptt180 -118.44 51.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.72 -20.97 4.47 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.6 -54.81 1.75 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.21 -118.88 1.06 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mp 57.21 25.77 11.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.358 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' A' ' 22' ' ' SER . 19.1 mm -150.67 -45.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 21' ' ' ILE . 11.7 t -36.86 -72.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -122.14 21.05 10.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.4 t -85.24 -82.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.95 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.78 -14.11 59.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.478 ' HA2' ' CD1' ' A' ' 29' ' ' ILE . . . -78.91 4.62 60.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.558 1.161 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.9 -32.18 73.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.62 65.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.495 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -80.72 -52.17 0.92 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -74.98 -2.53 12.65 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -95.88 19.3 11.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.225 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.5 m 60.73 35.39 19.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 53.25 41.15 32.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.472 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 2.9 mpp_? . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.406 ' O ' ' HA3' ' A' ' 44' ' ' GLY . . . -130.8 6.16 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.523 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -80.33 -50.02 1.15 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.039 -179.968 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.3 Cg_endo -75.02 -34.12 4.04 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.521 1.8 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 1.3 mttt -85.6 -34.73 21.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -40.71 -54.02 3.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -44.8 -35.91 2.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 110.947 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.434 HD13 ' CD1' ' A' ' 6' ' ' LEU . 16.6 tp -82.8 -31.89 27.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' GLY . 2.6 mm? -72.48 -33.17 66.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -63.99 -41.4 97.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 49' ' ' ARG . 0.8 OUTLIER -63.51 -36.29 83.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 110.332 179.953 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.8 -31.85 66.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.402 ' CG2' ' HB ' ' A' ' 29' ' ' ILE . 53.8 t -81.4 -39.39 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -57.25 12.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 111.034 -179.99 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.46 -57.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -31.65 72.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tp -66.19 -22.88 66.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.442 ' CD1' ' HD3' ' A' ' 49' ' ' ARG . 26.1 tp -69.53 -26.29 64.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.33 -62.55 1.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -32.81 41.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 mt -68.27 -34.5 76.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.371 1.044 . . . . 0.0 109.368 179.927 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -74.48 -52.81 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -53.98 -55.45 27.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.232 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.416 ' HA ' ' NE2' ' A' ' 15' ' ' GLN . 6.7 tp-100 -50.65 -26.27 5.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.409 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 1.7 t -95.11 -23.5 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -75.19 -44.66 45.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' A' ' 12' ' ' GLN . 2.8 pt20 -59.86 -18.96 48.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.409 ' NE ' ' HA ' ' A' ' 13' ' ' SER . 24.7 ptt180 -118.44 51.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.72 -20.97 4.47 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.6 -54.81 1.75 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.21 -118.88 1.06 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mp 57.21 25.77 11.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.358 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' A' ' 22' ' ' SER . 19.1 mm -150.67 -45.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 21' ' ' ILE . 11.7 t -36.86 -72.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -122.14 21.05 10.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.4 t -85.24 -82.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.95 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.78 -14.11 59.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.478 ' HA2' ' CD1' ' A' ' 29' ' ' ILE . . . -78.91 4.62 60.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.558 1.161 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.9 -32.18 73.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.62 65.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.495 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -80.72 -52.17 0.92 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -74.98 -2.53 12.65 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -95.88 19.3 11.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.225 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.5 m 60.73 35.39 19.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 53.25 41.15 32.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.472 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 2.9 mpp_? . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.406 ' O ' ' HA3' ' A' ' 44' ' ' GLY . . . -130.8 6.16 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.523 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -80.33 -50.02 1.15 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.039 -179.968 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.3 Cg_endo -75.02 -34.12 4.04 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.521 1.8 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 1.3 mttt -85.6 -34.73 21.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -40.71 -54.02 3.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -44.8 -35.91 2.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 110.947 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.434 HD13 ' CD1' ' A' ' 6' ' ' LEU . 16.6 tp -82.8 -31.89 27.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' GLY . 2.6 mm? -72.48 -33.17 66.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -63.99 -41.4 97.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 49' ' ' ARG . 0.8 OUTLIER -63.51 -36.29 83.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 110.332 179.953 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.8 -31.85 66.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.402 ' CG2' ' HB ' ' A' ' 29' ' ' ILE . 53.8 t -81.4 -39.39 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -57.25 12.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 111.034 -179.99 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.46 -57.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -31.65 72.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tp -66.19 -22.88 66.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.442 ' CD1' ' HD3' ' A' ' 49' ' ' ARG . 26.1 tp -69.53 -26.29 64.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.33 -62.55 1.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -32.81 41.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 mt -68.27 -34.5 76.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.371 1.044 . . . . 0.0 109.368 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -74.48 -52.81 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -53.98 -55.45 27.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.232 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.416 ' HA ' ' NE2' ' A' ' 15' ' ' GLN . 6.7 tp-100 -50.65 -26.27 5.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.409 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 1.7 t -95.11 -23.5 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -75.19 -44.66 45.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' A' ' 12' ' ' GLN . 2.8 pt20 -59.86 -18.96 48.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.409 ' NE ' ' HA ' ' A' ' 13' ' ' SER . 24.7 ptt180 -118.44 51.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.72 -20.97 4.47 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.6 -54.81 1.75 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.21 -118.88 1.06 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mp 57.21 25.77 11.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.358 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' A' ' 22' ' ' SER . 19.1 mm -150.67 -45.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 21' ' ' ILE . 11.7 t -36.86 -72.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -122.14 21.05 10.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.4 t -85.24 -82.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.95 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.78 -14.11 59.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.478 ' HA2' ' CD1' ' A' ' 29' ' ' ILE . . . -78.91 4.62 60.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.558 1.161 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.9 -32.18 73.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.62 65.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.495 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -80.72 -52.17 0.92 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -74.98 -2.53 12.65 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -95.88 19.3 11.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.225 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.5 m 60.73 35.39 19.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 53.25 41.15 32.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.472 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 2.9 mpp_? . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.406 ' O ' ' HA3' ' A' ' 44' ' ' GLY . . . -130.8 6.16 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.523 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -80.33 -50.02 1.15 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.039 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.3 Cg_endo -75.02 -34.12 4.04 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.521 1.8 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 1.3 mttt -85.6 -34.73 21.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -40.71 -54.02 3.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -44.8 -35.91 2.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 110.947 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.434 HD13 ' CD1' ' A' ' 6' ' ' LEU . 16.6 tp -82.8 -31.89 27.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' GLY . 2.6 mm? -72.48 -33.17 66.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -63.99 -41.4 97.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 49' ' ' ARG . 0.8 OUTLIER -63.51 -36.29 83.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 110.332 179.953 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.8 -31.85 66.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.402 ' CG2' ' HB ' ' A' ' 29' ' ' ILE . 53.8 t -81.4 -39.39 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -57.25 12.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 111.034 -179.99 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.46 -57.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -31.65 72.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tp -66.19 -22.88 66.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.442 ' CD1' ' HD3' ' A' ' 49' ' ' ARG . 26.1 tp -69.53 -26.29 64.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.33 -62.55 1.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -32.81 41.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 mt -68.27 -34.5 76.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.371 1.044 . . . . 0.0 109.368 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -74.48 -52.81 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -53.98 -55.45 27.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.232 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.416 ' HA ' ' NE2' ' A' ' 15' ' ' GLN . 6.7 tp-100 -50.65 -26.27 5.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.409 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 1.7 t -95.11 -23.5 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -75.19 -44.66 45.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' A' ' 12' ' ' GLN . 2.8 pt20 -59.86 -18.96 48.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.409 ' NE ' ' HA ' ' A' ' 13' ' ' SER . 24.7 ptt180 -118.44 51.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.72 -20.97 4.47 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.6 -54.81 1.75 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.21 -118.88 1.06 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mp 57.21 25.77 11.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.358 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' A' ' 22' ' ' SER . 19.1 mm -150.67 -45.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 21' ' ' ILE . 11.7 t -36.86 -72.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -122.14 21.05 10.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.4 t -85.24 -82.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.95 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.78 -14.11 59.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.478 ' HA2' ' CD1' ' A' ' 29' ' ' ILE . . . -78.91 4.62 60.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.558 1.161 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.9 -32.18 73.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.62 65.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.495 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -80.72 -52.17 0.92 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -74.98 -2.53 12.65 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -95.88 19.3 11.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.225 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.5 m 60.73 35.39 19.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 53.25 41.15 32.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.472 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 2.9 mpp_? . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.406 ' O ' ' HA3' ' A' ' 44' ' ' GLY . . . -130.8 6.16 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.523 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -80.33 -50.02 1.15 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.039 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.3 Cg_endo -75.02 -34.12 4.04 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.521 1.8 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 1.3 mttt -85.6 -34.73 21.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -40.71 -54.02 3.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -44.8 -35.91 2.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 110.947 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.434 HD13 ' CD1' ' A' ' 6' ' ' LEU . 16.6 tp -82.8 -31.89 27.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' GLY . 2.6 mm? -72.48 -33.17 66.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -63.99 -41.4 97.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 49' ' ' ARG . 0.8 OUTLIER -63.51 -36.29 83.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 110.332 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.8 -31.85 66.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.402 ' CG2' ' HB ' ' A' ' 29' ' ' ILE . 53.8 t -81.4 -39.39 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -57.25 12.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 111.034 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.56 122.68 4.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.989 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.456 ' CB ' ' CZ ' ' A' ' 3' ' ' ARG . 7.7 ttp-105 70.49 -62.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.263 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -20.02 64.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.439 ' O ' ' CD2' ' A' ' 9' ' ' LEU . 11.0 tp -71.58 -41.72 68.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.54 ' CB ' ' CE1' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -53.16 -23.97 9.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.24 -63.25 1.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -53.71 -30.95 46.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.028 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.439 ' CD2' ' O ' ' A' ' 5' ' ' LEU . 4.1 mm? -67.15 -36.26 81.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.506 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 1.2 tm? -85.39 -51.68 6.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.485 ' CD ' ' HA ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -56.39 -25.14 48.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.497 ' CB ' ' O ' ' A' ' 8' ' ' SER . 2.5 tp-100 -84.45 -35.58 22.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.9 m -80.22 -18.6 49.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.979 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.38 -50.31 13.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -56.87 -19.64 18.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -99.48 6.91 45.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.331 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.29 -44.49 3.34 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 147.1 46.6 0.03 OUTLIER Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -124.94 -171.33 13.28 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.505 ' O ' ' CG1' ' A' ' 21' ' ' ILE . 0.6 OUTLIER 54.82 42.08 31.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.763 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.505 ' CG1' ' O ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER 166.84 -31.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.3 p -59.17 -54.94 41.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 27' ' ' ASN . 1.1 tpm_? -110.55 -36.35 5.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.72 -88.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.005 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.457 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 0.4 OUTLIER -63.55 -15.37 57.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 109.253 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -82.2 -3.59 90.51 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 23' ' ' ARG . 9.0 t30 -69.58 -17.65 63.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 0.752 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 33' ' ' ALA . 2.3 m -150.82 52.55 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.77 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 4.5 tt -75.31 -35.0 1.75 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.093 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.77 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.3 Cg_endo -74.98 -25.07 12.25 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.452 1.764 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -85.53 10.26 13.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.57 34.12 0.78 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.993 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' SER . . . 63.68 28.16 14.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.02 -27.73 14.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.004 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.68 53.86 2.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.457 ' HB2' ' CD2' ' A' ' 25' ' ' LEU . . . -158.36 -95.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.8 m 72.77 -68.63 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.985 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m -39.91 -57.74 1.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.055 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -132.7 71.54 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.322 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.02 -1.33 9.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.475 ' CB ' ' HD3' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -76.49 -55.0 1.72 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.992 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.475 ' HD3' ' CB ' ' A' ' 41' ' ' SER . 18.2 Cg_endo -75.04 -31.89 5.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.434 1.755 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.557 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -85.37 -23.32 28.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 48' ' ' ASN . . . -57.21 -56.9 22.58 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.54 ' CE1' ' CB ' ' A' ' 6' ' ' LEU . 7.1 t80 -50.78 -36.31 36.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.9 tp -85.19 -20.98 29.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.475 HD11 ' CD1' ' A' ' 29' ' ' ILE . 0.5 OUTLIER -84.09 -24.02 30.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 44' ' ' GLY . 31.8 t-20 -79.1 -31.83 44.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -29.68 64.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.43 -32.66 74.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.5 t -85.06 -28.55 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -64.4 -56.8 11.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.441 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 1.4 p 163.08 -174.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 110.014 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.92 -61.01 0.79 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.95 -39.21 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.455 ' CD1' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -62.57 -62.16 1.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.566 HD22 ' CZ ' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -48.87 -24.31 1.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' A' ' 5' ' ' LEU . . . -79.46 -55.16 5.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.404 1.065 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.28 -25.71 67.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.062 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.455 HD22 ' CD1' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -69.23 -32.08 71.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.476 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -78.43 -47.73 16.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 11' ' ' ARG . 15.2 mtp-105 -53.71 -53.48 51.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -54.17 -32.38 55.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.275 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.496 ' OG ' ' CG2' ' A' ' 21' ' ' ILE . 0.7 OUTLIER -79.04 -41.2 29.42 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.52 1.137 . . . . 0.0 110.005 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.07 -49.93 72.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -68.39 -13.65 62.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.319 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -28.32 64.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 79.12 -52.29 4.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.482 1.114 . . . . 0.0 111.088 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.87 -61.09 4.53 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.41 82.15 1.32 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.33 41.35 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.772 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.496 ' CG2' ' OG ' ' A' ' 13' ' ' SER . 10.0 tt -158.03 -45.01 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 t -53.77 -24.21 14.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.04 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 27' ' ' ASN . 5.9 ptm180 -123.46 -41.33 2.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.4 ' N ' ' HG3' ' A' ' 23' ' ' ARG . 0.5 OUTLIER -50.13 -92.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.984 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.64 -14.19 57.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.77 -20.95 69.8 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.563 1.164 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 23' ' ' ARG . 32.9 m-20 -89.98 -16.4 29.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.766 . . . . 0.0 109.328 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 33' ' ' ALA . 2.5 m -96.79 -2.12 44.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.027 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.514 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -64.54 -51.18 61.34 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -75.02 -13.48 21.35 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 111.022 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.0 tttp -87.12 10.98 15.02 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.86 26.61 1.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.979 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 28' ' ' SER . . . 66.1 27.88 10.4 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 33' ' ' ALA . 18.2 t -39.58 -38.5 0.61 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -117.08 71.67 0.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.366 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.417 ' CB ' ' HB3' ' A' ' 33' ' ' ALA . . . -142.27 84.03 1.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.453 ' O ' ' CB ' ' A' ' 38' ' ' SER . 0.2 OUTLIER -152.93 116.07 4.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.029 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 37' ' ' SER . 1.2 t 82.15 -56.18 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.998 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.461 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -93.94 23.59 4.79 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.428 1.08 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.415 ' CB ' ' HB1' ' A' ' 36' ' ' ALA . . . -132.66 7.43 4.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.331 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.506 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.6 OUTLIER -81.0 -51.71 0.9 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.031 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.2 Cg_endo -74.97 -33.42 4.64 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.537 1.809 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.461 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -85.46 -34.66 21.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -40.06 -61.72 1.64 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.566 ' CZ ' HD22 ' A' ' 6' ' ' LEU . 2.1 t80 -46.34 -32.47 3.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 0.74 . . . . 0.0 110.97 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 43' ' ' LYS . 13.3 tp -85.13 -30.84 23.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' GLY . 2.9 mm? -74.22 -33.85 63.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -66.0 -35.09 79.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -36.89 78.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.62 -29.3 70.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 20.7 t -85.1 -25.34 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -66.57 -49.89 64.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.269 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 m -140.5 118.99 12.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.568 1.167 . . . . 0.0 109.903 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.66 -53.29 3.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.18 -34.02 55.13 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.426 1.079 . . . . 0.0 110.336 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mt -81.29 -28.32 34.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.463 ' CD1' HD11 ' A' ' 46' ' ' LEU . 9.0 tp -71.81 -27.09 62.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 10' ' ' LEU . . . -72.9 -61.47 1.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.6 t -52.02 -24.54 6.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.974 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 39.7 mt -78.46 -28.64 46.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.509 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -84.35 -52.03 6.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.5 mtm180 -51.6 -33.72 34.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -74.09 -40.07 62.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.618 1.199 . . . . 0.0 110.265 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.4 p -76.14 -18.53 59.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 110.016 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.6 -46.78 11.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -68.65 -17.81 64.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -67.49 -25.23 65.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 16' ' ' ARG . . . 37.71 55.81 1.71 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.48 1.112 . . . . 0.0 110.965 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.51 45.75 0.83 Allowed Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.13 146.63 48.18 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.03 -56.13 26.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.335 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.502 ' CD1' ' C ' ' A' ' 21' ' ' ILE . 1.6 pp -69.38 -8.59 10.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.36 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.3 t -75.82 -29.96 58.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.027 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 27' ' ' ASN . 8.1 ptm180 -118.02 -35.31 3.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.386 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.9 m -72.17 -45.76 59.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.945 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.454 ' CD1' ' HB3' ' A' ' 32' ' ' SER . 0.2 OUTLIER -76.3 -10.53 59.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.413 ' C ' ' N ' ' A' ' 28' ' ' SER . . . -101.69 -32.32 5.14 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.397 1.06 . . . . 0.0 110.995 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 23' ' ' ARG . 1.4 m120 -44.82 -26.9 0.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 0.808 . . . . 0.0 109.248 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.413 ' N ' ' C ' ' A' ' 26' ' ' GLY . 0.2 OUTLIER -159.77 61.13 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 109.955 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.486 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.3 OUTLIER -40.21 -53.72 5.03 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.4 Cg_endo -74.98 54.26 3.58 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.14 -55.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.454 ' HB3' ' CD1' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -55.69 -51.19 68.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.054 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.32 -8.5 46.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.4 -7.15 26.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.952 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -155.03 56.97 0.66 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.314 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.477 ' CB ' ' HB1' ' A' ' 40' ' ' ALA . . . -105.52 -74.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 36' ' ' ALA . 79.0 p 54.1 80.63 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.019 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.7 t 177.38 -56.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.029 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.21 30.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.388 1.055 . . . . 0.0 110.344 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.477 ' HB1' ' CB ' ' A' ' 36' ' ' ALA . . . -113.54 4.83 16.35 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.514 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -77.7 -51.13 1.87 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 110.017 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.5 Cg_endo -75.06 -33.32 4.61 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.437 1.756 . . . . 0.0 111.01 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.503 ' CD ' ' O ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -85.57 -30.5 23.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -46.64 -53.92 9.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -43.69 -35.8 1.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 0.746 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.463 HD11 ' CD1' ' A' ' 6' ' ' LEU . 4.7 tp -76.43 -38.15 55.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.464 HD12 ' CG1' ' A' ' 29' ' ' ILE . 0.7 OUTLIER -59.14 -40.41 85.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.02 -39.32 93.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -19.44 64.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.278 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.94 -35.88 74.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.9 t -85.13 -28.75 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.342 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -61.19 -47.73 84.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.242 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.024 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.643 ' N ' ' CD2' ' A' ' 45' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -160.44 156.91 26.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.033 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -46.4 -65.84 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.338 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -50.98 -37.17 43.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.462 ' HG ' ' CB ' ' A' ' 1' ' ' ALA . 0.2 OUTLIER -54.72 -70.0 0.11 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.93 -28.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.417 ' N ' ' C ' ' A' ' 5' ' ' LEU . . . -66.49 -62.48 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.495 ' O ' ' CB ' ' A' ' 12' ' ' GLN . 16.9 t -52.21 -32.37 36.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 110.048 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.468 HD21 ' CE ' ' A' ' 43' ' ' LYS . 8.6 mt -66.9 -34.94 78.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.472 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -85.41 -50.24 7.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.437 1.086 . . . . 0.0 109.378 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.48 ' CD ' ' HA ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -59.16 -24.83 63.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 110.229 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.495 ' CB ' ' O ' ' A' ' 8' ' ' SER . 2.1 tp60 -85.03 -33.99 22.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.8 p -78.74 -41.65 30.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.0 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.92 -36.13 62.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.246 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -81.46 -29.47 33.74 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.382 1.051 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -155.77 -92.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.41 1.069 . . . . 0.0 110.408 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 19' ' ' GLY . . . 66.5 8.55 46.43 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.449 1.093 . . . . 0.0 111.018 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' GLY . . . 37.75 30.48 0.07 OUTLIER Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 17' ' ' GLY . . . 39.65 55.02 2.75 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.61 -64.29 1.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.253 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 pp -66.41 -14.54 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.13 -17.17 16.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.429 1.08 . . . . 0.0 109.941 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -141.1 -45.8 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 110.335 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.6 m -51.55 -94.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 0.0 109.987 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.435 HD12 ' CB ' ' A' ' 36' ' ' ALA . 2.4 mm? -84.88 52.27 2.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.432 ' C ' ' N ' ' A' ' 28' ' ' SER . . . -150.74 -44.28 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.135 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -42.11 -28.35 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.425 0.721 . . . . 0.0 109.343 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.432 ' N ' ' C ' ' A' ' 26' ' ' GLY . 0.5 OUTLIER -161.24 68.14 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.551 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.4 OUTLIER -45.57 -49.89 33.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -75.03 55.74 4.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.458 1.768 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.429 ' CB ' ' O ' ' A' ' 30' ' ' PRO . 0.2 OUTLIER 169.07 -61.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.588 1.18 . . . . 0.0 109.201 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.2 -35.41 17.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.006 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.04 -21.28 11.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.229 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.9 m -116.24 24.07 11.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.978 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -158.01 50.05 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.27 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.435 ' CB ' HD12 ' A' ' 25' ' ' LEU . . . -146.42 -100.3 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 75.25 -171.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.005 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 78.36 -64.88 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.029 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -131.78 31.12 4.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 44' ' ' GLY . . . -117.57 0.45 12.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.35 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.513 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.5 OUTLIER -73.08 -51.46 6.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.052 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.1 Cg_endo -75.08 -33.16 4.71 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.5 1.789 . . . . 0.0 110.946 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.519 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -85.21 -25.41 27.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -54.61 -52.6 44.35 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.558 1.161 . . . . 0.0 111.026 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.643 ' CD2' ' N ' ' A' ' 1' ' ' ALA . 5.2 t80 -44.72 -36.6 3.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 tt -79.2 -34.26 43.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.603 1.189 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.474 HD13 ' CD1' ' A' ' 29' ' ' ILE . 1.7 mm? -71.11 -40.37 71.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -56.58 -37.57 70.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -68.63 -38.99 80.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 110.221 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.92 -27.62 66.91 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.2 t -77.76 -48.17 24.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.102 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -40.41 -55.15 2.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.534 1.147 . . . . 0.0 111.017 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.505 ' HB3' ' CZ ' ' A' ' 45' ' ' PHE . 3.4 m -179.73 114.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.09 . . . . 0.0 110.073 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -139.19 -47.36 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 -55.44 -37.55 67.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.57 1.169 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.8 -24.92 41.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.466 ' CD1' ' CE2' ' A' ' 45' ' ' PHE . 4.5 tp -72.13 -26.78 62.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.405 1.065 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.58 -63.19 1.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.138 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.9 m -51.15 -34.38 30.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.057 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.5 mt -71.12 -33.13 69.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.36 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -74.39 -53.04 10.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.439 ' NH1' ' HB3' ' A' ' 11' ' ' ARG . 14.4 mtp-105 -45.76 -51.19 13.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.403 ' HA ' ' NE2' ' A' ' 15' ' ' GLN . 31.8 tp60 -58.28 -34.89 71.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.4 p -75.62 -23.57 56.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.06 -50.95 9.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.095 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.441 ' C ' ' CG ' ' A' ' 16' ' ' ARG . 1.2 pt20 -72.54 -29.61 63.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.406 1.066 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.441 ' CG ' ' C ' ' A' ' 15' ' ' GLN . 0.7 OUTLIER 38.83 85.06 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.34 50.13 4.15 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.411 1.07 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.69 40.59 0.52 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 38.54 81.52 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.27 -65.47 1.01 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 0.733 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.405 HD13 ' N ' ' A' ' 22' ' ' SER . 0.1 OUTLIER -75.72 -5.68 7.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.143 . . . . 0.0 109.33 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.405 ' N ' HD13 ' A' ' 21' ' ' ILE . 0.4 OUTLIER -39.23 -85.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.992 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -142.55 24.3 1.91 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.7 -81.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.972 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' A' ' 35' ' ' ARG . 1.0 OUTLIER -74.94 -12.0 60.25 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.615 1.197 . . . . 0.0 109.258 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.409 ' O ' ' CD ' ' A' ' 30' ' ' PRO . . . -70.87 -4.34 54.16 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.438 1.086 . . . . 0.0 111.004 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.402 ' C ' ' HD2' ' A' ' 30' ' ' PRO . 1.1 m-20 -87.79 -9.8 52.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.562 0.801 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 33' ' ' ALA . 80.2 p -90.61 -47.73 7.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.606 1.191 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.516 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.8 OUTLIER -40.7 -51.5 6.86 Favored Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.547 1.155 . . . . 0.0 109.324 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.4 Cg_endo -74.99 -26.09 11.27 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.495 1.787 . . . . 0.0 110.97 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 28' ' ' SER . 72.0 mttt -92.36 24.61 3.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 63.29 53.73 2.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.021 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 28' ' ' SER . . . 46.53 29.78 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -38.79 -53.03 1.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.007 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.496 ' O ' ' CD1' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -101.01 91.35 4.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.03 83.98 1.86 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 61.9 p -168.91 -41.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.576 1.172 . . . . 0.0 110.027 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.89 79.62 9.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 59.22 38.8 23.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 44' ' ' GLY . . . -118.51 1.19 11.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.494 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -74.45 -52.37 3.92 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.413 1.071 . . . . 0.0 109.966 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.4 Cg_endo -74.92 -30.65 7.08 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.389 1.731 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.453 ' HE3' ' CD2' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -85.2 -32.58 22.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.147 . . . . 0.0 109.36 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -55.93 -40.54 81.92 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.405 1.066 . . . . 0.0 111.039 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.505 ' CZ ' ' HB3' ' A' ' 2' ' ' SER . 5.8 t80 -54.04 -31.81 52.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 0.727 . . . . 0.0 110.982 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.0 tp -85.34 -33.91 21.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.344 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.453 ' CD2' ' HE3' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -72.71 -31.09 64.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -68.76 -34.36 75.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.73 -31.01 66.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.427 1.08 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.55 -33.38 74.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -84.98 -28.58 6.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.352 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.98 -51.74 68.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.93 105.8 2.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.978 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.15 -19.16 20.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 110.257 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -84.94 -34.8 22.41 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.536 1.147 . . . . 0.0 110.332 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 mt -81.75 -24.63 35.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 tp -73.3 -24.97 60.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.354 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.6 -58.81 3.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.379 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.48 ' HA ' ' CD ' ' A' ' 11' ' ' ARG . 22.3 t -52.73 -30.85 34.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.021 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -67.67 -35.75 79.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.409 HD23 ' N ' ' A' ' 11' ' ' ARG . 0.8 OUTLIER -85.38 -50.94 6.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.48 ' CD ' ' HA ' ' A' ' 8' ' ' SER . 2.4 ptm180 -57.5 -16.74 10.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.292 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.17 -43.61 13.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.14 -29.74 57.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.38 -40.9 94.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -74.6 -9.0 58.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.259 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -138.53 70.86 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.244 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -40.69 -48.19 3.99 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -40.81 -84.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 79.67 119.29 0.32 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.73 -33.68 18.62 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.44 0.729 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.4 mt -80.24 -14.25 13.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.98 -16.92 57.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.92 -38.01 3.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 110.247 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.7 m -64.59 -49.39 71.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.595 1.184 . . . . 0.0 110.045 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.427 ' CD2' ' HB3' ' A' ' 32' ' ' SER . 6.2 mt -85.07 -21.83 29.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.39 -23.15 68.18 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.563 1.164 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.06 -18.36 13.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.306 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 p 174.69 68.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.966 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.505 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 1.1 mt -50.3 -52.43 54.34 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.3 Cg_endo -75.04 63.47 6.03 Favored 'Trans proline' 0 C--N 1.358 1.072 0 O-C-N 124.533 1.807 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 30' ' ' PRO . 0.2 OUTLIER 164.29 -57.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.427 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . 58.0 m -62.95 -43.48 98.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.955 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.78 -15.18 52.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.85 34.12 2.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.084 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.15 -44.61 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.435 ' O ' ' CB ' ' A' ' 37' ' ' SER . . . -47.81 -91.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.389 1.056 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 38' ' ' SER . 0.1 OUTLIER 80.46 151.9 0.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 0.0 109.931 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 37' ' ' SER . 0.2 OUTLIER 83.36 -70.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.996 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.406 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 5.3 mtt-85 -85.34 -32.99 22.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -93.5 9.32 37.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.591 1.182 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.494 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.4 OUTLIER -77.92 -51.89 1.67 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.3 Cg_endo -75.02 -34.25 3.95 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.494 1.786 . . . . 0.0 110.944 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.532 ' CD ' ' N ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -85.24 -27.05 26.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -48.54 -58.81 7.07 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.464 1.102 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.52 ' C ' ' CD1' ' A' ' 45' ' ' PHE . 1.6 t80 -44.24 -33.66 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 0.8 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 36.5 tp -85.16 -33.86 22.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.612 1.195 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.463 HD13 ' CD1' ' A' ' 29' ' ' ILE . 0.7 OUTLIER -72.09 -24.03 61.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 44' ' ' GLY . 19.1 t-20 -75.82 -39.54 56.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -23.97 64.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.239 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.2 -34.54 75.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.36 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -84.07 -26.49 7.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -55.24 33.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.9 p -106.46 135.13 48.51 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.459 1.1 . . . . 0.0 109.989 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 75.51 -61.61 0.47 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 110.266 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.6 ttt85 -51.44 -36.02 42.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.411 ' C ' ' N ' ' A' ' 7' ' ' ALA . 0.8 OUTLIER -57.48 -75.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.361 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.479 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -46.4 -26.01 0.76 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.411 ' N ' ' C ' ' A' ' 5' ' ' LEU . . . -70.98 -63.12 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.3 t -61.91 -29.81 70.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.074 . . . . 0.0 110.015 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.8 tp -69.35 -25.91 64.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.496 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -83.38 -40.53 19.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.461 ' N ' ' CD1' ' A' ' 10' ' ' LEU . 5.9 mtp180 -61.3 -49.61 76.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.427 ' HA ' ' NE2' ' A' ' 15' ' ' GLN . 16.3 tp60 -59.78 -28.44 67.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 110.253 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -83.8 -55.11 4.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.051 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.56 -34.06 1.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.427 ' NE2' ' HA ' ' A' ' 12' ' ' GLN . 8.1 pt20 -85.89 -32.88 21.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 13' ' ' SER . 1.7 mpt_? -163.77 -98.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 48.4 22.49 2.51 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' LEU . . . 37.84 84.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.04 69.46 0.13 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 18' ' ' GLY . 0.2 OUTLIER -108.48 -17.85 13.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.77 . . . . 0.0 109.246 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.4 mp -100.3 -20.01 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.85 -20.61 37.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.965 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -111.59 -43.94 3.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.575 1.172 . . . . 0.0 110.31 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.16 -78.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.006 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.451 ' CD1' ' HA ' ' A' ' 36' ' ' ALA . 3.8 mm? -58.7 -23.98 60.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.24 -39.4 92.42 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.556 1.16 . . . . 0.0 111.034 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -77.94 -12.85 60.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 0.783 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.08 -13.18 22.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.01 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.518 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 1.0 OUTLIER -56.01 -51.9 76.86 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -74.98 -12.52 21.56 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.777 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -85.18 9.74 14.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.83 36.32 2.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.995 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 34' ' ' SER . . . 65.72 43.38 3.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 109.244 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.475 ' OG ' ' N ' ' A' ' 35' ' ' ARG . 95.3 p -37.13 -85.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.581 1.175 . . . . 0.0 110.01 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.475 ' N ' ' OG ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -64.84 -78.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.451 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . . . 40.44 77.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.57 164.43 10.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 110.051 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 77.64 -71.2 0.11 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.168 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -132.51 44.95 2.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 44' ' ' GLY . . . -117.37 -0.3 12.02 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.489 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -72.45 -52.5 6.65 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 0.0 109.949 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.2 Cg_endo -75.01 -33.53 4.49 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.454 1.765 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.555 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -85.48 -22.11 28.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.209 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -55.72 -57.34 19.31 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.589 1.181 . . . . 0.0 111.023 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.479 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 2.2 t80 -48.22 -37.91 17.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.6 tp -84.73 -22.24 29.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 43' ' ' LYS . 0.4 OUTLIER -81.42 -23.75 37.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' GLY . 2.3 t30 -84.97 -26.91 26.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -76.86 -20.1 56.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.432 ' N ' ' HG3' ' A' ' 49' ' ' ARG . . . -73.74 -30.77 63.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -84.97 -31.14 6.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.417 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 31.4 tp60 -67.09 -55.51 13.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 . . . . . 0 C--N 1.326 -0.428 0 O-C-N 124.402 1.064 . . . . 0.0 111.017 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 2.3 m -96.33 121.35 38.03 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 110.003 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 2' ' ' SER . 0.0 OUTLIER 160.83 -74.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -84.81 -15.18 45.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 tp -66.08 -34.2 77.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.259 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.1 tp -64.15 -23.15 67.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.16 -63.59 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.266 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.487 ' HA ' ' CD ' ' A' ' 11' ' ' ARG . 3.1 m -55.19 -31.47 61.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.038 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.419 ' CD1' ' HA ' ' A' ' 43' ' ' LYS . 2.1 mm? -67.43 -34.88 78.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.357 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.449 ' C ' ' CD2' ' A' ' 10' ' ' LEU . 1.4 tt -85.48 -47.96 9.43 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.475 1.109 . . . . 0.0 109.354 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.487 ' CD ' ' HA ' ' A' ' 8' ' ' SER . 2.0 ptm180 -62.65 -14.6 45.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.422 ' CB ' ' O ' ' A' ' 8' ' ' SER . 1.9 tm0? -85.14 -42.35 14.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.255 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.0 p -76.34 -36.92 57.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.033 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.36 -42.17 86.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.588 1.18 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 16' ' ' ARG . 6.0 pt20 -72.81 -28.36 62.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.384 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER 37.45 41.8 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -48.13 -72.75 0.4 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.575 1.172 . . . . 0.0 111.032 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -93.89 -77.34 1.37 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 152.67 69.64 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.0 tp -71.1 -38.32 72.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 22' ' ' SER . 14.4 tt -100.97 5.82 10.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 21' ' ' ILE . 31.3 t -39.1 -73.82 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -155.54 25.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.219 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.12 -85.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.042 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.459 ' HB3' ' CD1' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -77.83 -27.79 50.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.448 ' C ' ' N ' ' A' ' 28' ' ' SER . . . -66.92 -52.98 29.44 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.469 1.105 . . . . 0.0 110.995 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 26' ' ' GLY . 10.1 t30 -40.0 -29.88 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 0.727 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -147.81 62.67 1.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 110.032 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.54 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -43.87 -50.52 19.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.3 Cg_endo -75.04 -69.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.491 1.784 . . . . 0.0 110.975 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.425 ' CB ' ' OG ' ' A' ' 28' ' ' SER . 0.7 OUTLIER -39.04 -49.01 1.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 28' ' ' SER . 13.2 m -67.19 -43.27 82.55 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.48 1.113 . . . . 0.0 110.054 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 29' ' ' ILE . . . -59.47 -16.28 23.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.74 -4.79 32.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 109.982 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -163.76 55.32 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' SER . . . -124.22 -98.2 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.57 -174.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.014 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.55 -62.01 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 110.01 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.6 mtm180 -131.1 19.12 4.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.346 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 44' ' ' GLY . . . -107.64 -9.28 15.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.537 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -75.13 -49.65 4.05 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.023 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.4 Cg_endo -74.97 -33.05 4.91 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.454 ' CD ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -85.63 -33.8 21.54 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -43.52 -52.95 6.17 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -44.95 -39.02 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.756 . . . . 0.0 110.988 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 22.5 tp -77.32 -31.94 54.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 25' ' ' LEU . 10.2 mt -71.6 -45.02 63.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -51.03 -39.72 56.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -26.95 57.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.335 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.87 -31.33 66.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -85.03 -23.04 7.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.89 -54.97 22.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.353 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.478 ' O ' ' CE2' ' A' ' 45' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 m 42.37 71.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.017 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -76.94 -57.97 3.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -54.45 -34.21 61.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 tp -58.15 -52.0 67.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.8 tp -41.97 -34.47 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.83 -64.38 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.093 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.501 ' O ' ' CG ' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -53.81 -31.7 50.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.082 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.497 ' CD2' ' O ' ' A' ' 42' ' ' PRO . 5.1 mp -61.87 -39.0 90.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.477 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -72.61 -50.23 26.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -55.38 -33.52 63.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.275 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.501 ' CG ' ' O ' ' A' ' 8' ' ' SER . 3.3 mm100 -67.54 -42.75 82.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.175 . . . . 0.0 110.351 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.2 p -78.77 -19.81 51.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 109.996 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.46 -50.0 10.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.353 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -63.41 -12.11 28.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.33 77.74 1.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.14 -37.35 79.59 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.67 -59.0 1.38 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.44 -99.84 1.9 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mp 62.25 14.46 6.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 8.5 mm -135.42 -46.55 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.0 109.245 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.87 -16.67 61.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.372 1.045 . . . . 0.0 109.966 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.15 -33.57 6.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.86 -39.76 34.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.033 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.09 -11.58 54.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.467 ' HA2' ' CD1' ' A' ' 29' ' ' ILE . . . -77.33 -11.84 85.13 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.54 -17.92 16.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.483 ' CB ' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -170.17 68.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.523 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 1.5 mt -76.94 -50.95 2.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.237 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -75.1 -12.21 21.31 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 0.0 110.967 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.483 ' HB2' ' CB ' ' A' ' 28' ' ' SER . 26.7 mttt -85.2 9.62 14.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.59 32.5 3.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 110.091 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 58.24 35.41 24.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 p -52.92 -20.33 3.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.017 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.09 57.57 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 110.261 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.01 -98.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 38' ' ' SER . 0.6 OUTLIER 66.14 171.1 0.23 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.023 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 37' ' ' SER . 0.7 OUTLIER 85.28 -53.62 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.968 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.65 57.56 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.262 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 44' ' ' GLY . . . -119.93 -2.44 10.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.497 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -73.12 -51.84 5.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 109.986 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.497 ' O ' ' CD2' ' A' ' 9' ' ' LEU . 18.3 Cg_endo -75.02 -33.43 4.56 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.52 1.8 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.55 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -85.24 -24.5 27.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 48' ' ' ASN . . . -53.51 -56.51 19.58 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.403 1.064 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.478 ' CE2' ' O ' ' A' ' 1' ' ' ALA . 0.5 OUTLIER -48.01 -43.11 29.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 0.0 111.013 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.9 tp -80.11 -21.69 42.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.246 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.463 HD13 ' CG1' ' A' ' 29' ' ' ILE . 1.5 mm? -81.47 -22.99 37.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 44' ' ' GLY . 22.9 t-20 -81.96 -32.8 30.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -25.39 63.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.256 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.99 -42.27 98.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.47 HG22 ' CG2' ' A' ' 29' ' ' ILE . 2.3 t -85.29 -22.9 7.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -61.3 -47.37 86.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.975 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.417 ' HB2' ' CB ' ' A' ' 5' ' ' LEU . 24.9 p 39.47 90.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.028 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -93.88 -52.97 4.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.253 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.23 -21.78 33.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.253 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.438 ' C ' ' N ' ' A' ' 7' ' ' ALA . 1.1 mp -62.84 -70.61 0.2 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -40.67 -29.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.369 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.438 ' N ' ' C ' ' A' ' 5' ' ' LEU . . . -60.34 -67.13 0.42 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.525 ' O ' ' CG ' ' A' ' 12' ' ' GLN . 35.7 t -53.98 -38.67 65.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.03 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -63.12 -31.39 72.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.435 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -85.76 -47.15 10.01 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.363 179.901 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.521 ' CD ' ' HA ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -65.45 -28.24 69.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.366 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.525 ' CG ' ' O ' ' A' ' 8' ' ' SER . 5.7 mm-40 -85.34 -39.59 17.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 90.3 p -73.57 -32.17 64.01 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.463 1.102 . . . . 0.0 110.04 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.11 -40.23 95.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -78.18 -25.58 47.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.268 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 38.9 51.56 1.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.249 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -89.64 33.16 4.48 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.541 1.151 . . . . 0.0 111.031 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 119.7 63.48 0.27 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.459 ' O ' ' CB ' ' A' ' 22' ' ' SER . . . -115.79 102.15 1.07 Allowed Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 24' ' ' SER . 1.1 mt -62.2 -59.77 4.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 0.74 . . . . 0.0 109.222 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.415 ' CG1' ' HG2' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -48.6 -24.18 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 1.6 t -54.38 -25.9 27.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.97 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -141.29 -47.28 0.39 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 20' ' ' LEU . 1.9 m -42.8 -49.45 5.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.989 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.465 ' HB3' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -84.6 -22.81 29.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.52 -11.57 42.13 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 111.05 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -102.39 -13.34 17.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.586 0.815 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.98 -2.56 52.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.019 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.558 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 1.3 mm -68.58 -49.5 29.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.5 Cg_endo -75.0 -9.77 20.91 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.541 1.811 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -86.31 11.19 12.75 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.434 1.084 . . . . 0.0 109.341 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 72.8 m 66.11 40.07 4.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 35' ' ' ARG . . . 65.03 44.46 3.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -38.67 -30.38 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.968 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -144.87 -79.49 0.18 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.627 1.204 . . . . 0.0 110.274 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 40.37 79.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.432 ' O ' ' CB ' ' A' ' 38' ' ' SER . 0.5 OUTLIER -163.7 159.35 21.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 110.009 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.432 ' CB ' ' O ' ' A' ' 37' ' ' SER . 0.1 OUTLIER 80.32 -71.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.004 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.41 7.58 20.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.418 ' HB3' ' N ' ' A' ' 37' ' ' SER . . . -100.01 4.86 45.03 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.531 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.5 OUTLIER -77.39 -50.16 2.15 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.046 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.2 Cg_endo -75.01 -33.4 4.6 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.478 1.778 . . . . 0.0 111.049 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.501 ' CD ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -85.67 -32.65 21.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -42.75 -56.98 4.14 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -45.72 -31.84 2.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 0.797 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 9' ' ' LEU . 8.1 mt -84.83 -32.93 23.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 25' ' ' LEU . 7.2 mt -72.63 -37.32 68.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.249 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -59.74 -38.03 80.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.13 -25.99 58.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.8 -30.71 68.31 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.415 HG11 ' N ' ' A' ' 52' ' ' GLN . 0.3 OUTLIER -85.09 -28.11 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.415 ' N ' HG11 ' A' ' 51' ' ' VAL . 38.8 tp60 -63.94 -55.98 18.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.356 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 179.955 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.452 ' O ' ' CZ ' ' A' ' 45' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.573 ' O ' ' CE2' ' A' ' 45' ' ' PHE . 52.7 p 55.24 61.66 2.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.967 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.08 -60.34 2.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.408 ' HB2' ' NH1' ' A' ' 4' ' ' ARG . 1.5 mtm105 -56.92 -24.47 52.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.419 ' CB ' ' HB2' ' A' ' 2' ' ' SER . 10.6 tp -68.01 -37.82 81.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.436 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 1.4 tt -58.07 -24.82 59.99 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.488 1.118 . . . . 0.0 109.357 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.51 -66.83 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.41 ' O ' ' CG ' ' A' ' 12' ' ' GLN . 24.5 t -55.39 -35.82 65.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 0.0 109.978 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.9 mt -59.05 -40.3 84.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.6 -52.39 21.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 11' ' ' ARG . 14.8 mtp-105 -52.84 -31.96 41.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 110.333 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.41 ' CG ' ' O ' ' A' ' 8' ' ' SER . 4.0 mm-40 -72.63 -41.37 65.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.3 p -76.26 -32.62 58.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.13 -44.49 79.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 16' ' ' ARG . 5.4 pt20 -76.29 -24.5 54.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' GLN . 0.4 OUTLIER 38.25 73.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.286 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.09 -47.49 11.14 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.57 -65.1 0.26 Allowed Glycine 0 CA--C 1.529 0.964 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.64 61.28 0.01 OUTLIER Glycine 0 CA--C 1.529 0.929 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.12 -33.98 77.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 0.748 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.495 ' O ' ' CG2' ' A' ' 21' ' ' ILE . 28.7 mm -131.49 9.71 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.3 -86.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.31 10.31 11.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.259 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 m -82.14 -94.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.962 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.495 ' O ' ' CD1' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -84.98 47.93 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.93 -48.73 0.04 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -51.11 -22.44 2.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 0.785 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 32' ' ' SER . 55.5 m -138.9 63.48 1.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.615 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -58.69 -45.26 99.65 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.248 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.5 Cg_endo -75.0 -46.41 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.415 1.745 . . . . 0.0 111.028 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.463 ' CB ' ' HB3' ' A' ' 28' ' ' SER . 0.0 OUTLIER -64.64 -61.42 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.35 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 28' ' ' SER . 16.5 m -50.8 -22.26 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.059 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.06 -17.09 15.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 53.1 m -78.42 -28.19 46.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.055 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -76.85 -67.65 0.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.354 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 35' ' ' ARG . . . 39.12 65.06 0.72 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.12 -52.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.047 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.48 76.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 59.29 30.46 20.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.352 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 44' ' ' GLY . . . -115.47 0.88 13.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.5 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -72.41 -52.25 6.93 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.1 . . . . 0.0 109.993 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.4 Cg_endo -74.92 -33.98 4.28 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.485 1.781 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.525 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 1.9 mmtt -85.55 -20.72 29.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -56.53 -57.01 21.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.544 1.153 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.573 ' CE2' ' O ' ' A' ' 2' ' ' SER . 33.4 t80 -44.96 -40.48 6.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 111.007 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.404 ' CD1' ' HG ' ' A' ' 6' ' ' LEU . 7.6 tp -76.9 -30.64 56.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.495 ' CD1' ' O ' ' A' ' 25' ' ' LEU . 4.0 mm? -71.96 -43.2 65.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -54.26 -41.74 69.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.406 ' NH2' ' OE1' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -61.62 -41.8 97.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.601 ' O ' ' CD1' ' A' ' 53' ' ' TYR . . . -64.45 -50.89 65.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 17.2 t -46.86 -34.12 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.357 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -44.69 -62.98 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.352 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.7 p -108.46 1.27 21.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -68.9 -18.65 64.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -78.28 -34.3 48.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.283 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.42 ' N ' HD21 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -60.4 -68.15 0.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.517 ' HB3' ' CE2' ' A' ' 45' ' ' PHE . 1.6 pp -48.04 -33.89 8.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.04 -56.13 14.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 12' ' ' GLN . 53.5 m -54.11 -28.2 37.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.1 mt -70.61 -35.95 73.24 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.433 1.083 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.506 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -85.34 -48.74 8.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.479 ' CD ' ' HA ' ' A' ' 8' ' ' SER . 2.4 ptm180 -59.36 -27.12 65.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.489 ' CB ' ' O ' ' A' ' 8' ' ' SER . 2.8 tp60 -85.03 -31.5 23.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.2 p -81.68 -20.12 40.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.985 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.41 -39.79 37.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -80.23 2.06 25.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -90.43 16.72 8.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 37.74 62.62 0.96 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 154.48 -55.22 0.42 Allowed Glycine 0 CA--C 1.531 1.061 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.76 136.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.14 -46.46 16.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 0.811 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.474 ' CG1' HD21 ' A' ' 47' ' ' LEU . 10.2 tp -92.68 9.71 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.8 -51.66 9.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.932 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -164.78 28.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 110.277 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.36 -65.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.03 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.448 HD12 ' CB ' ' A' ' 36' ' ' ALA . 0.3 OUTLIER -81.61 -24.44 36.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.147 . . . . 0.0 109.36 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.75 -17.05 62.22 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.472 1.108 . . . . 0.0 110.975 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.2 -12.03 29.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 33' ' ' ALA . 1.4 m -93.62 -10.45 34.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.991 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.501 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.4 OUTLIER -71.65 -53.0 7.74 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.591 1.182 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.4 Cg_endo -74.92 -13.85 21.48 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.524 1.802 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.442 ' CG ' ' HB2' ' A' ' 34' ' ' SER . 15.9 tttt -86.99 12.42 11.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.28 34.16 5.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.46 1.1 . . . . 0.0 110.049 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' SER . . . 72.54 47.39 0.25 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.127 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 33' ' ' ALA . 9.2 t -36.15 -37.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -144.02 -93.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.32 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.448 ' CB ' HD12 ' A' ' 25' ' ' LEU . . . 62.12 100.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.415 1.072 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.39 -57.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.928 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 m -44.72 -69.16 0.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 0.0 109.95 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -134.28 75.83 1.61 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.586 1.179 . . . . 0.0 110.338 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.409 ' O ' ' CA ' ' A' ' 44' ' ' GLY . . . -120.32 -2.98 10.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.465 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -74.76 -53.78 3.05 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.0 Cg_endo -74.96 -32.87 5.09 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.477 1.777 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.551 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -85.44 -24.02 27.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -52.75 -62.04 6.24 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.548 1.155 . . . . 0.0 111.044 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.517 ' CE2' ' HB3' ' A' ' 6' ' ' LEU . 1.7 t80 -43.57 -34.92 1.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 0.728 . . . . 0.0 111.018 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.7 tt -84.25 -34.19 23.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.347 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.474 HD21 ' CG1' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -70.67 -29.88 66.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 44' ' ' GLY . 0.8 OUTLIER -70.44 -37.23 74.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.63 -27.19 64.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 110.336 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.58 ' HA ' ' CD2' ' A' ' 53' ' ' TYR . . . -75.11 -51.94 12.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -61.18 -15.65 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.68 -50.98 11.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.637 ' CD1' ' C ' ' A' ' 53' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.411 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 80.7 p -107.68 175.04 5.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 109.957 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.411 ' CB ' ' O ' ' A' ' 2' ' ' SER . 0.0 OUTLIER 78.24 -60.86 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.255 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.59 -30.65 67.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.27 -68.03 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.43 -29.43 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 10' ' ' LEU . . . -65.8 -64.3 0.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.466 ' O ' ' CG ' ' A' ' 12' ' ' GLN . 0.9 OUTLIER -49.76 -31.24 11.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 110.007 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.44 ' HB3' ' CD1' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -74.43 -32.95 62.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.463 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -74.59 -41.03 61.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 109.327 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.447 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 29.9 mtp180 -65.87 -21.42 66.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.334 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.466 ' CG ' ' O ' ' A' ' 8' ' ' SER . 9.3 mm-40 -78.18 -43.5 28.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.32 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.1 t -75.53 -30.38 59.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.045 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.6 -44.98 73.18 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 11' ' ' ARG . 4.6 pt20 -74.7 -30.76 61.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 38.79 85.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -118.14 51.06 0.76 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.538 1.149 . . . . 0.0 110.951 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 151.39 -65.63 0.36 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.6 67.04 0.94 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.74 -10.71 20.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.767 . . . . 0.0 109.213 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.474 ' CD1' ' HB3' ' A' ' 43' ' ' LYS . 0.7 OUTLIER -116.0 -1.92 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 109.34 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.0 m -109.37 -22.75 11.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -103.71 -46.79 4.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.61 -72.93 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.975 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.483 ' CD1' ' OG ' ' A' ' 32' ' ' SER . 1.6 mm? -84.13 48.79 1.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.167 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -137.45 -62.31 0.05 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.554 1.159 . . . . 0.0 111.063 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -52.96 -21.16 4.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 0.785 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.51 ' O ' ' N ' ' A' ' 32' ' ' SER . 62.9 m -145.74 53.23 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 110.044 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.547 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -43.47 -50.08 17.07 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.1 Cg_endo -74.94 -65.66 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.482 1.78 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.31 -58.05 3.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 28' ' ' SER . 22.3 p -56.78 -37.43 71.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.996 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 29' ' ' ILE . . . -65.66 -10.99 41.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.259 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -99.14 -7.69 26.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.071 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.99 2.75 5.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.243 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 32' ' ' SER . . . -93.6 -93.43 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.112 . . . . 0.0 109.254 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 38' ' ' SER . 0.1 OUTLIER 67.69 146.65 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.157 . . . . 0.0 109.977 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 37' ' ' SER . 0.1 OUTLIER 78.05 -59.01 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.076 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.48 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 31.1 mtt180 -88.6 -29.64 19.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 110.307 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.408 ' O ' ' HA3' ' A' ' 44' ' ' GLY . . . -94.53 8.85 40.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.547 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.5 OUTLIER -80.05 -49.05 1.29 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 41' ' ' SER . 17.9 Cg_endo -75.15 -34.29 3.81 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.486 1.782 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.48 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 3.5 mtpt -85.48 -38.3 18.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -37.35 -53.38 1.71 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.123 . . . . 0.0 111.046 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -44.01 -44.75 7.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 111.026 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.44 ' CD1' ' HB3' ' A' ' 9' ' ' LEU . 1.7 tp -73.17 -30.21 63.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.25 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' GLY . 10.7 mt -71.85 -46.99 56.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.59 1.181 . . . . 0.0 109.242 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -50.05 -39.5 42.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.417 1.073 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.33 -23.28 43.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.31 -30.39 57.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -85.02 -25.77 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -48.7 68.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.353 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.005 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.19 136.08 13.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 110.035 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 69.72 -60.19 0.48 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 0.0 110.323 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -54.96 -32.63 61.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.342 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.1 tp -66.15 -33.75 76.48 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.578 1.174 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.2 tp -64.69 -26.75 68.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.09 -62.4 1.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.92 -28.64 17.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.979 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.8 -32.01 70.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.435 ' C ' ' CD2' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -81.45 -46.14 15.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.342 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.53 -19.21 56.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -85.01 -40.55 16.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.3 t -77.29 -24.33 51.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 110.049 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.38 -39.07 48.59 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 109.238 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -79.85 -4.3 51.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 110.254 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -101.37 -24.21 14.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.265 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.67 -56.22 3.79 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 159.43 50.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -107.59 -50.91 0.78 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -61.81 -16.8 52.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.763 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.9 tt -125.27 14.6 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.17 . . . . 0.0 109.249 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.5 t -42.35 -49.31 5.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.974 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.01 37.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.347 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.42 -72.41 0.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.421 1.075 . . . . 0.0 109.991 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.481 ' CD2' ' CB ' ' A' ' 36' ' ' ALA . 14.5 mt -84.82 -29.13 25.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.38 -22.89 63.91 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -54.54 -20.16 7.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.409 0.711 . . . . 0.0 109.353 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.6 63.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.928 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.595 ' CG2' ' CG2' ' A' ' 51' ' ' VAL . 0.5 OUTLIER -45.76 -51.31 30.22 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -74.99 54.66 3.71 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.49 1.784 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 32' ' ' SER . 0.3 OUTLIER 175.51 -59.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.433 ' C ' ' N ' ' A' ' 34' ' ' SER . 2.9 m -65.58 -40.62 92.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.173 . . . . 0.0 109.953 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -39.91 -30.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.433 ' N ' ' C ' ' A' ' 32' ' ' SER . 0.2 OUTLIER -71.91 61.61 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 109.954 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? 64.42 68.75 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.265 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.501 ' O ' ' CB ' ' A' ' 37' ' ' SER . . . -72.04 -34.1 68.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 36' ' ' ALA . 1.6 t 85.26 -168.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.997 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.552 ' O ' ' CB ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER 55.68 29.88 14.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.023 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.552 ' CB ' ' O ' ' A' ' 38' ' ' SER . 3.5 tpp85 89.25 75.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.457 ' CB ' HD12 ' A' ' 25' ' ' LEU . . . -132.57 5.67 4.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.508 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -83.78 -51.77 0.61 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.989 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.5 Cg_endo -74.98 -33.09 4.87 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.587 1.835 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.462 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -85.76 -35.79 20.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.598 1.186 . . . . 0.0 109.25 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 48' ' ' ASN . . . -45.65 -43.44 11.32 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.494 1.121 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -54.44 -38.96 66.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 111.087 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.7 tp -85.34 -23.08 28.21 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.423 1.077 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.59 ' CD1' ' CD1' ' A' ' 29' ' ' ILE . 1.1 mm? -80.13 -27.46 39.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 44' ' ' GLY . 1.0 OUTLIER -78.7 -29.74 45.64 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.586 1.179 . . . . 0.0 109.305 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 50' ' ' ALA . 1.9 ppt_? -74.45 -21.34 59.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.418 ' N ' ' HG3' ' A' ' 49' ' ' ARG . . . -74.36 -28.59 61.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.595 ' CG2' ' CG2' ' A' ' 29' ' ' ILE . 29.0 t -74.94 -59.95 2.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.566 1.166 . . . . 0.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -44.3 -38.63 4.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.097 . . . . 0.0 110.991 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.4 -67.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.957 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.17 -57.7 3.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -52.43 -32.35 38.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 tp -56.7 -59.25 5.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.511 ' HB2' ' CE1' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -46.52 -35.35 5.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.231 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.76 -63.53 1.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.4 m -58.17 -31.49 67.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.028 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.466 ' HB3' ' CD2' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -65.72 -32.2 73.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.147 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.421 HD13 ' N ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -78.43 -50.69 11.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 109.269 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 11' ' ' ARG . 15.4 mtp-105 -50.85 -52.25 43.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.251 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -51.6 -39.76 58.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.446 1.091 . . . . 0.0 110.26 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.64 -31.26 59.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 109.99 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.76 -33.96 74.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.51 -51.11 6.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.334 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 56.49 91.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -98.25 -54.4 1.18 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -114.58 -55.39 0.39 Allowed Glycine 0 CA--C 1.531 1.061 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.49 -101.25 0.38 Allowed Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 mp 53.62 22.93 3.28 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.47 0.747 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 17.2 tt -143.44 -47.08 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.248 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.78 -19.57 32.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.01 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -93.83 -54.11 3.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.395 1.06 . . . . 0.0 110.248 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.7 m -66.07 -89.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.027 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.477 HD13 ' CB ' ' A' ' 36' ' ' ALA . 2.0 mt -80.52 55.03 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.237 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.2 -46.51 0.05 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.476 1.11 . . . . 0.0 110.943 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -52.5 -21.13 3.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 0.745 . . . . 0.0 109.333 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -166.72 78.21 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.65 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -63.45 -43.91 80.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.6 Cg_endo -74.98 0.58 8.72 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.504 1.792 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -137.62 16.45 2.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 28' ' ' SER . 1.7 m -111.35 -42.47 3.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 110.088 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.69 -13.73 35.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.584 1.178 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.84 -6.16 43.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.03 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.86 57.21 0.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.085 . . . . 0.0 110.312 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.477 ' CB ' HD13 ' A' ' 25' ' ' LEU . . . -118.15 -99.21 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 38' ' ' SER . 2.8 m 65.17 -176.78 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.016 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 37' ' ' SER . 1.8 t 87.04 -58.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.983 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.93 27.03 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.128 . . . . 0.0 110.273 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.475 ' CB ' ' HB1' ' A' ' 36' ' ' ALA . . . -98.29 0.31 45.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.494 ' CB ' ' HD3' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -68.78 -55.78 10.56 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.04 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.494 ' HD3' ' CB ' ' A' ' 41' ' ' SER . 18.2 Cg_endo -75.01 -28.43 9.16 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.504 1.792 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.473 ' CD ' ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -85.08 -23.51 28.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -63.81 -50.02 64.14 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.511 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 6.3 t80 -46.08 -32.69 3.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 0.784 . . . . 0.0 111.006 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 9' ' ' LEU . 6.6 tp -84.35 -32.74 24.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.515 ' CD1' ' CD1' ' A' ' 29' ' ' ILE . 1.3 mm? -73.64 -34.16 64.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 44' ' ' GLY . 1.3 m-20 -62.88 -39.66 95.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.23 -38.39 90.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.609 ' O ' ' CD1' ' A' ' 53' ' ' TYR . . . -52.13 -38.33 57.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.474 ' CG2' HG22 ' A' ' 29' ' ' ILE . 85.9 t -84.21 -27.52 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.51 -55.56 32.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.157 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.609 ' CD1' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.559 ' HB2' ' CD2' ' A' ' 45' ' ' PHE . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.65 130.51 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.029 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.02 -49.74 39.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.239 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.88 -39.21 84.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 tp -62.07 -51.55 67.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.567 ' HB2' ' CD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -52.22 -45.81 65.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.499 ' N ' ' CD1' ' A' ' 6' ' ' LEU . . . -56.86 -58.46 8.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.87 -23.48 2.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.944 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.465 ' HB3' ' CD2' ' A' ' 46' ' ' LEU . 1.1 mm? -81.53 -31.76 32.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.496 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -80.87 -47.95 13.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.365 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.409 ' N ' ' CD1' ' A' ' 10' ' ' LEU . 21.3 mtm180 -54.74 -50.75 67.62 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.448 1.092 . . . . 0.0 110.285 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -49.17 -43.57 42.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 110.341 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.07 -29.75 60.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.965 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.71 -32.82 73.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.184 . . . . 0.0 109.243 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.35 -51.49 6.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.152 . . . . 0.0 110.335 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.24 -42.04 4.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.413 1.071 . . . . 0.0 110.291 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.4 -52.69 3.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.55 -60.32 5.93 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' OG ' ' A' ' 22' ' ' SER . . . 79.31 90.86 0.41 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.44 -54.94 5.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 0.746 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.466 ' CG2' HD21 ' A' ' 47' ' ' LEU . 1.3 mp -56.71 -18.64 7.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 19' ' ' GLY . 23.5 p -52.89 -57.62 9.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.979 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -102.32 -33.18 9.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.334 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.7 t -53.92 -86.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.966 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.487 ' CD1' ' CB ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -80.17 54.61 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.42 ' C ' ' N ' ' A' ' 28' ' ' SER . . . -140.08 -44.47 0.07 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.432 1.082 . . . . 0.0 111.027 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -45.07 -26.52 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 0.792 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 26' ' ' GLY . 12.0 p -112.48 48.89 0.96 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.95 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.474 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.6 OUTLIER -77.64 -53.71 1.5 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.4 Cg_endo -74.98 -10.37 21.21 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.508 1.793 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -78.71 2.44 19.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 71.41 33.14 1.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.969 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 54.02 27.41 7.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.2 t -39.45 -34.98 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.002 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.507 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -109.91 64.82 0.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.385 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 35' ' ' ARG . . . 162.53 107.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.376 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.483 ' O ' ' CB ' ' A' ' 38' ' ' SER . 96.2 p -130.54 134.64 47.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 110.016 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 37' ' ' SER . 1.4 t 84.94 -48.53 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.963 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.48 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -80.54 -26.86 37.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.314 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.441 ' CB ' ' HB3' ' A' ' 36' ' ' ALA . . . -93.6 12.28 25.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.51 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.5 OUTLIER -81.92 -51.39 0.81 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.959 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.2 Cg_endo -75.05 -33.93 4.16 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.777 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.48 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 0.4 OUTLIER -85.5 -36.84 20.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -38.07 -56.71 1.78 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.567 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 5.9 t80 -44.84 -38.46 4.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 0.733 . . . . 0.0 111.043 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.465 ' CD2' ' HB3' ' A' ' 9' ' ' LEU . 55.2 tp -78.98 -31.49 44.91 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.469 HD11 ' CD1' ' A' ' 29' ' ' ILE . 4.3 mm? -72.48 -36.93 68.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.426 1.079 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.59 -37.12 85.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.595 1.185 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -32.28 71.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.13 -34.98 72.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -85.19 -29.29 6.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -59.91 -48.54 81.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 110.973 -179.949 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.74 118.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.959 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.68 -44.53 85.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -38.68 90.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.587 1.179 . . . . 0.0 110.253 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.444 ' C ' ' CD1' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -65.57 -55.89 15.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.16 . . . . 0.0 109.284 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.559 ' HB2' ' CD1' ' A' ' 45' ' ' PHE . 2.4 tp -56.31 -24.96 46.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.39 -55.25 5.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.248 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.99 -25.75 61.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.992 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.55 -29.72 61.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.461 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -79.06 -46.23 18.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.424 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 68.7 mtp180 -54.03 -37.89 64.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.2 tp60 -69.98 -35.4 74.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.1 t -77.86 -32.11 51.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.1 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.53 -49.43 59.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.424 ' NE2' ' O ' ' A' ' 11' ' ' ARG . 4.9 pt20 -68.79 -14.23 62.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.7 mtt85 -140.58 68.97 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.3 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -40.53 -36.68 1.06 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.541 1.15 . . . . 0.0 111.02 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -47.26 -79.19 0.07 OUTLIER Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 65.23 108.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mt -74.19 -42.58 59.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 0.0 109.352 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.86 -10.67 13.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.08 -19.81 65.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.957 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.51 -56.23 1.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.21 -44.3 22.34 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 110.067 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.15 -22.5 28.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.507 ' CA ' ' CD1' ' A' ' 29' ' ' ILE . . . -82.93 11.08 55.74 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -69.86 -16.92 63.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.424 0.72 . . . . 0.0 109.305 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 m -146.13 60.03 1.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.422 1.076 . . . . 0.0 109.996 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.507 ' CD1' ' CA ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -82.16 -52.17 0.74 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.3 Cg_endo -75.01 0.91 8.34 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.533 1.807 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.52 14.09 17.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.589 1.18 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.4 m 67.69 41.87 2.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.057 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.437 ' CB ' ' HB2' ' A' ' 36' ' ' ALA . . . 59.18 39.33 23.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.219 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -38.85 -34.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.007 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.21 73.31 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.455 ' HA ' ' CB ' ' A' ' 40' ' ' ALA . . . -108.27 63.93 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.427 ' N ' ' HB2' ' A' ' 40' ' ' ALA . 1.4 p -59.1 -174.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.996 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.2 p -63.89 -25.16 68.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.57 7.14 42.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.351 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.455 ' CB ' ' HA ' ' A' ' 36' ' ' ALA . . . -116.41 2.11 13.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.517 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.6 OUTLIER -73.35 -51.26 5.83 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.952 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.4 Cg_endo -74.93 -33.41 4.71 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.589 1.836 . . . . 0.0 111.033 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.56 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -85.43 -25.32 27.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -55.09 -47.27 74.55 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.559 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 1.3 t80 -52.36 -41.06 62.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 0.782 . . . . 0.0 110.961 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.485 ' CD1' ' HD3' ' A' ' 49' ' ' ARG . 0.9 OUTLIER -85.16 -16.03 41.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.17 -30.31 24.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' GLY . 2.0 t30 -81.85 -31.87 31.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.485 ' HD3' ' CD1' ' A' ' 46' ' ' LEU . 4.2 ptm180 -74.86 -11.86 60.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.95 -37.27 40.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.472 ' CG2' ' HB ' ' A' ' 29' ' ' ILE . 2.3 t -71.52 -58.21 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.414 ' HG3' ' N ' ' A' ' 53' ' ' TYR . 13.6 pt20 -40.19 -42.64 1.52 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 110.288 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.414 ' N ' ' HG3' ' A' ' 52' ' ' GLN . 1.4 m-30 . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.638 ' N ' ' CD2' ' A' ' 45' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 m -127.07 160.86 29.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.537 1.148 . . . . 0.0 110.003 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -45.84 -68.25 0.21 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.43 1.081 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -38.3 19.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.429 ' C ' ' N ' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -54.09 -77.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.573 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -42.86 -28.33 0.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.429 ' N ' ' C ' ' A' ' 5' ' ' LEU . . . -71.24 -57.97 3.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.5 p -60.89 -24.22 65.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.64 -26.8 62.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.386 1.054 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.503 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -84.6 -45.56 12.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.407 ' N ' ' CD1' ' A' ' 10' ' ' LEU . 57.4 mtp180 -58.36 -36.52 73.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.239 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -72.75 -32.72 65.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 t -78.16 -33.54 50.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 110.055 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.64 -42.92 70.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -75.45 -11.89 60.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.51 1.131 . . . . 0.0 110.333 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -57.42 -33.91 68.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.224 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.88 -52.55 3.97 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.557 1.161 . . . . 0.0 111.02 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.0 -59.67 8.24 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 154.45 -91.6 0.13 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mt 66.75 25.92 9.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 0.805 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 12.1 tt -159.95 -44.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.41 -61.08 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.941 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.3 ptt-85 -157.51 26.68 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.1 m -75.05 -96.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.403 ' CD1' ' HB3' ' A' ' 32' ' ' SER . 4.2 tp -84.13 7.18 19.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.44 ' C ' ' N ' ' A' ' 28' ' ' SER . . . -86.68 -36.62 9.25 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.553 1.158 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -43.46 -26.9 0.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.44 ' N ' ' C ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -154.24 83.52 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.962 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.714 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -75.63 -39.48 2.97 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.714 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.4 Cg_endo -75.05 -11.32 21.38 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.537 1.809 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.8 -0.7 14.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.403 ' HB3' ' CD1' ' A' ' 25' ' ' LEU . 55.6 p -89.14 -34.2 16.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.031 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.46 -15.39 26.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.127 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.5 p -91.51 -25.59 19.19 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.565 1.166 . . . . 0.0 109.962 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.416 ' HB2' ' NH1' ' A' ' 35' ' ' ARG . 3.9 ptm85 -119.98 60.35 0.86 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 0.0 110.317 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.423 ' CB ' ' HB2' ' A' ' 40' ' ' ALA . . . -175.48 -96.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 26.6 m 63.76 42.71 5.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.041 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.87 -40.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.999 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.36 -31.61 10.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 44' ' ' GLY . . . -93.15 -0.98 56.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.51 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -74.11 -51.62 4.66 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 110.058 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.4 Cg_endo -75.05 -31.95 5.72 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.5 1.789 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.501 ' CD ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -85.56 -32.18 22.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -46.36 -54.1 8.93 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.601 1.188 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.638 ' CD2' ' N ' ' A' ' 1' ' ' ALA . 2.2 t80 -45.01 -33.43 2.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.466 ' CD1' HD12 ' A' ' 6' ' ' LEU . 11.5 tp -82.7 -34.35 27.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 44' ' ' GLY . 0.1 OUTLIER -70.4 -37.87 74.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -59.65 -43.95 93.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.155 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -66.6 -26.57 67.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.27 -38.26 88.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 38.3 t -85.11 -26.07 6.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.18 -54.61 34.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.417 1.073 . . . . 0.0 111.047 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.452 ' HB3' ' CD2' ' A' ' 6' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.411 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 10.2 m -96.62 90.99 5.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.964 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.498 ' O ' ' CB ' ' A' ' 7' ' ' ALA . 4.7 mtt85 -44.38 -38.7 4.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.435 1.084 . . . . 0.0 110.291 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -65.34 -41.41 93.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 110.252 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.411 ' HB2' ' CB ' ' A' ' 2' ' ' SER . 3.5 tp -66.82 -59.27 3.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -59.55 -17.98 37.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 3' ' ' ARG . . . -77.09 -59.39 2.8 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.508 1.13 . . . . 0.0 109.368 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.6 t -50.7 -30.52 13.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.042 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.15 -28.52 54.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.47 ' C ' ' CD2' ' A' ' 10' ' ' LEU . 3.3 tt -84.4 -53.63 5.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.503 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 18.6 mtm180 -48.95 -23.03 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -85.21 -40.9 16.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.348 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.7 t -73.67 -26.05 60.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.932 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.74 -31.04 71.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.433 1.083 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 11' ' ' ARG . 0.2 OUTLIER -85.28 -45.63 11.77 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.57 1.169 . . . . 0.0 110.322 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -38.21 -31.39 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.27 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 15' ' ' GLN . . . 77.71 -52.96 3.61 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.478 1.111 . . . . 0.0 110.975 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.24 -64.94 2.77 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.79 110.79 0.09 OUTLIER Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.19 -68.4 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.403 HG23 ' CD ' ' A' ' 43' ' ' LYS . 2.5 pp -52.21 -22.05 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.29 -22.49 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.989 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.2 ptt-85 -146.91 -45.82 0.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 m -43.15 -89.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.432 ' HB3' ' CD1' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -70.31 -25.22 63.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.71 -23.52 63.21 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.442 1.089 . . . . 0.0 110.995 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -86.39 -15.0 41.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 0.72 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.97 -10.37 36.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 0.0 109.972 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.495 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -68.3 -53.31 18.63 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.3 Cg_endo -74.97 -10.46 21.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.78 . . . . 0.0 111.02 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -82.48 6.27 17.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 69.08 34.88 2.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 34' ' ' SER . . . 71.92 48.04 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -35.03 -57.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.966 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.31 -79.53 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 46.01 80.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.5 OUTLIER -120.93 -149.83 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.469 ' O ' ' CB ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -60.04 82.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.042 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.469 ' CB ' ' O ' ' A' ' 38' ' ' SER . 1.2 mtm-85 160.26 -29.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 110.315 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -93.46 7.17 45.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.5 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.5 OUTLIER -77.58 -51.54 1.86 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.4 Cg_endo -75.0 -32.33 5.46 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.515 1.797 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.403 ' CD ' HG23 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -85.84 -33.37 21.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -44.25 -53.02 6.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.553 ' CD1' ' N ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -46.35 -38.43 8.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.774 . . . . 0.0 110.976 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.553 ' N ' ' CD1' ' A' ' 45' ' ' PHE . 12.1 tp -84.92 -23.57 28.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.257 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.475 ' CD2' HG13 ' A' ' 29' ' ' ILE . 0.2 OUTLIER -76.79 -34.03 57.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -70.44 -36.04 73.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.448 ' CZ ' ' HA ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -69.19 -22.23 63.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.35 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.448 ' HA ' ' CZ ' ' A' ' 49' ' ' ARG . . . -64.52 -38.75 92.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.244 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.409 ' CG2' HG21 ' A' ' 29' ' ' ILE . 33.6 t -82.93 -32.8 9.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.448 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 37.4 tp60 -48.51 -48.16 38.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 110.253 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.463 1.102 . . . . 0.0 110.956 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p -143.02 164.15 30.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.977 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.46 -57.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -31.65 72.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tp -66.19 -22.88 66.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.442 ' CD1' ' HD3' ' A' ' 49' ' ' ARG . 26.1 tp -69.53 -26.29 64.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.33 -62.55 1.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -32.81 41.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 mt -68.27 -34.5 76.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.371 1.044 . . . . 0.0 109.368 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -74.48 -52.81 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -53.98 -55.45 27.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.232 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.416 ' HA ' ' NE2' ' A' ' 15' ' ' GLN . 6.7 tp-100 -50.65 -26.27 5.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.409 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 1.7 t -95.11 -23.5 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -75.19 -44.66 45.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' A' ' 12' ' ' GLN . 2.8 pt20 -59.86 -18.96 48.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.409 ' NE ' ' HA ' ' A' ' 13' ' ' SER . 24.7 ptt180 -118.44 51.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.72 -20.97 4.47 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.6 -54.81 1.75 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.21 -118.88 1.06 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mp 57.21 25.77 11.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.358 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' A' ' 22' ' ' SER . 19.1 mm -150.67 -45.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 21' ' ' ILE . 11.7 t -36.86 -72.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -122.14 21.05 10.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.4 t -85.24 -82.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.95 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.78 -14.11 59.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.478 ' HA2' ' CD1' ' A' ' 29' ' ' ILE . . . -78.91 4.62 60.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.558 1.161 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.9 -32.18 73.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.62 65.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.495 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -80.72 -52.17 0.92 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -74.98 -2.53 12.65 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -95.88 19.3 11.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.225 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.5 m 60.73 35.39 19.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 53.25 41.15 32.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.96 -15.88 60.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.0 47.88 0.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.374 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.444 ' HB3' ' CB ' ' A' ' 40' ' ' ALA . . . -161.27 -98.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.7 m 57.25 63.15 1.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.09 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.4 t 175.01 -41.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 0.0 110.038 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.472 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 2.9 mpp_? -142.97 34.57 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.444 ' CB ' ' HB3' ' A' ' 36' ' ' ALA . . . -130.8 6.16 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.523 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -80.33 -50.02 1.15 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.039 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.3 Cg_endo -75.02 -34.12 4.04 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.521 1.8 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 1.3 mttt -85.6 -34.73 21.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -40.71 -54.02 3.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -44.8 -35.91 2.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 110.947 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.434 HD13 ' CD1' ' A' ' 6' ' ' LEU . 16.6 tp -82.8 -31.89 27.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' GLY . 2.6 mm? -72.48 -33.17 66.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -63.99 -41.4 97.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 49' ' ' ARG . 0.8 OUTLIER -63.51 -36.29 83.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 110.332 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.8 -31.85 66.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.402 ' CG2' ' HB ' ' A' ' 29' ' ' ILE . 53.8 t -81.4 -39.39 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -57.25 12.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 111.034 -179.99 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p -143.02 164.15 30.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.977 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.46 -57.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 -179.929 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -31.65 72.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tp -66.19 -22.88 66.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.442 ' CD1' ' HD3' ' A' ' 49' ' ' ARG . 26.1 tp -69.53 -26.29 64.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.33 -62.55 1.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -32.81 41.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 mt -68.27 -34.5 76.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.371 1.044 . . . . 0.0 109.368 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -74.48 -52.81 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -53.98 -55.45 27.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.232 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.416 ' HA ' ' NE2' ' A' ' 15' ' ' GLN . 6.7 tp-100 -50.65 -26.27 5.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.409 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 1.7 t -95.11 -23.5 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -75.19 -44.66 45.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' A' ' 12' ' ' GLN . 2.8 pt20 -59.86 -18.96 48.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.409 ' NE ' ' HA ' ' A' ' 13' ' ' SER . 24.7 ptt180 -118.44 51.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.72 -20.97 4.47 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.6 -54.81 1.75 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.21 -118.88 1.06 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mp 57.21 25.77 11.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.358 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' A' ' 22' ' ' SER . 19.1 mm -150.67 -45.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 21' ' ' ILE . 11.7 t -36.86 -72.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -122.14 21.05 10.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.4 t -85.24 -82.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.95 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.78 -14.11 59.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.478 ' HA2' ' CD1' ' A' ' 29' ' ' ILE . . . -78.91 4.62 60.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.558 1.161 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.9 -32.18 73.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.62 65.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.495 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -80.72 -52.17 0.92 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -74.98 -2.53 12.65 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -95.88 19.3 11.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.225 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.5 m 60.73 35.39 19.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 53.25 41.15 32.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.96 -15.88 60.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.0 47.88 0.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.374 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.444 ' HB3' ' CB ' ' A' ' 40' ' ' ALA . . . -161.27 -98.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.923 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.7 m 57.25 63.15 1.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.09 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.4 t 175.01 -41.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 0.0 110.038 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.472 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 2.9 mpp_? -142.97 34.57 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.444 ' CB ' ' HB3' ' A' ' 36' ' ' ALA . . . -130.8 6.16 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.523 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -80.33 -50.02 1.15 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.039 -179.968 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.3 Cg_endo -75.02 -34.12 4.04 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.521 1.8 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 1.3 mttt -85.6 -34.73 21.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -40.71 -54.02 3.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -44.8 -35.91 2.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 110.947 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.434 HD13 ' CD1' ' A' ' 6' ' ' LEU . 16.6 tp -82.8 -31.89 27.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' GLY . 2.6 mm? -72.48 -33.17 66.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -63.99 -41.4 97.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 49' ' ' ARG . 0.8 OUTLIER -63.51 -36.29 83.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 110.332 179.953 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.8 -31.85 66.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.402 ' CG2' ' HB ' ' A' ' 29' ' ' ILE . 53.8 t -81.4 -39.39 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -57.25 12.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 111.034 -179.99 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p -143.02 164.15 30.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.977 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.46 -57.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -31.65 72.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tp -66.19 -22.88 66.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.442 ' CD1' ' HD3' ' A' ' 49' ' ' ARG . 26.1 tp -69.53 -26.29 64.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.33 -62.55 1.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -32.81 41.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 mt -68.27 -34.5 76.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.371 1.044 . . . . 0.0 109.368 179.927 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -74.48 -52.81 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -53.98 -55.45 27.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.232 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.416 ' HA ' ' NE2' ' A' ' 15' ' ' GLN . 6.7 tp-100 -50.65 -26.27 5.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.409 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 1.7 t -95.11 -23.5 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -75.19 -44.66 45.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' A' ' 12' ' ' GLN . 2.8 pt20 -59.86 -18.96 48.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.409 ' NE ' ' HA ' ' A' ' 13' ' ' SER . 24.7 ptt180 -118.44 51.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.72 -20.97 4.47 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.6 -54.81 1.75 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.21 -118.88 1.06 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mp 57.21 25.77 11.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.358 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' A' ' 22' ' ' SER . 19.1 mm -150.67 -45.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 21' ' ' ILE . 11.7 t -36.86 -72.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -122.14 21.05 10.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.4 t -85.24 -82.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.95 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.78 -14.11 59.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.478 ' HA2' ' CD1' ' A' ' 29' ' ' ILE . . . -78.91 4.62 60.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.558 1.161 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.9 -32.18 73.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.62 65.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.495 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -80.72 -52.17 0.92 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -74.98 -2.53 12.65 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -95.88 19.3 11.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.225 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.5 m 60.73 35.39 19.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 53.25 41.15 32.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.96 -15.88 60.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.0 47.88 0.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.374 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.444 ' HB3' ' CB ' ' A' ' 40' ' ' ALA . . . -161.27 -98.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.7 m 57.25 63.15 1.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.09 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.4 t 175.01 -41.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 0.0 110.038 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.472 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 2.9 mpp_? -142.97 34.57 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.444 ' CB ' ' HB3' ' A' ' 36' ' ' ALA . . . -130.8 6.16 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.523 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -80.33 -50.02 1.15 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.039 -179.968 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.3 Cg_endo -75.02 -34.12 4.04 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.521 1.8 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 1.3 mttt -85.6 -34.73 21.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -40.71 -54.02 3.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -44.8 -35.91 2.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 110.947 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.434 HD13 ' CD1' ' A' ' 6' ' ' LEU . 16.6 tp -82.8 -31.89 27.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' GLY . 2.6 mm? -72.48 -33.17 66.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -63.99 -41.4 97.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 49' ' ' ARG . 0.8 OUTLIER -63.51 -36.29 83.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 110.332 179.953 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.8 -31.85 66.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.402 ' CG2' ' HB ' ' A' ' 29' ' ' ILE . 53.8 t -81.4 -39.39 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -57.25 12.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 111.034 -179.99 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p -143.02 164.15 30.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.977 -179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.46 -57.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -31.65 72.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tp -66.19 -22.88 66.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.442 ' CD1' ' HD3' ' A' ' 49' ' ' ARG . 26.1 tp -69.53 -26.29 64.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.33 -62.55 1.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -32.81 41.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 mt -68.27 -34.5 76.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.371 1.044 . . . . 0.0 109.368 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -74.48 -52.81 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -53.98 -55.45 27.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.232 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.416 ' HA ' ' NE2' ' A' ' 15' ' ' GLN . 6.7 tp-100 -50.65 -26.27 5.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.409 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 1.7 t -95.11 -23.5 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -75.19 -44.66 45.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' A' ' 12' ' ' GLN . 2.8 pt20 -59.86 -18.96 48.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.409 ' NE ' ' HA ' ' A' ' 13' ' ' SER . 24.7 ptt180 -118.44 51.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.72 -20.97 4.47 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.6 -54.81 1.75 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.21 -118.88 1.06 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mp 57.21 25.77 11.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.358 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' A' ' 22' ' ' SER . 19.1 mm -150.67 -45.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 21' ' ' ILE . 11.7 t -36.86 -72.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -122.14 21.05 10.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.4 t -85.24 -82.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.95 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.78 -14.11 59.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.478 ' HA2' ' CD1' ' A' ' 29' ' ' ILE . . . -78.91 4.62 60.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.558 1.161 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.9 -32.18 73.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.62 65.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.495 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -80.72 -52.17 0.92 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -74.98 -2.53 12.65 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -95.88 19.3 11.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.225 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.5 m 60.73 35.39 19.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 53.25 41.15 32.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.96 -15.88 60.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.0 47.88 0.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.374 179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.444 ' HB3' ' CB ' ' A' ' 40' ' ' ALA . . . -161.27 -98.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.923 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.7 m 57.25 63.15 1.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.09 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.4 t 175.01 -41.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 0.0 110.038 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.472 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 2.9 mpp_? -142.97 34.57 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.444 ' CB ' ' HB3' ' A' ' 36' ' ' ALA . . . -130.8 6.16 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.523 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -80.33 -50.02 1.15 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.039 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.3 Cg_endo -75.02 -34.12 4.04 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.521 1.8 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 1.3 mttt -85.6 -34.73 21.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -40.71 -54.02 3.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -44.8 -35.91 2.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 110.947 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.434 HD13 ' CD1' ' A' ' 6' ' ' LEU . 16.6 tp -82.8 -31.89 27.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' GLY . 2.6 mm? -72.48 -33.17 66.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -63.99 -41.4 97.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 49' ' ' ARG . 0.8 OUTLIER -63.51 -36.29 83.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 110.332 179.953 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.8 -31.85 66.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.402 ' CG2' ' HB ' ' A' ' 29' ' ' ILE . 53.8 t -81.4 -39.39 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -57.25 12.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 111.034 -179.99 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p -143.02 164.15 30.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.977 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.46 -57.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -31.65 72.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tp -66.19 -22.88 66.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.442 ' CD1' ' HD3' ' A' ' 49' ' ' ARG . 26.1 tp -69.53 -26.29 64.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.33 -62.55 1.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -32.81 41.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 mt -68.27 -34.5 76.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.371 1.044 . . . . 0.0 109.368 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -74.48 -52.81 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -53.98 -55.45 27.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.232 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.416 ' HA ' ' NE2' ' A' ' 15' ' ' GLN . 6.7 tp-100 -50.65 -26.27 5.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.409 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 1.7 t -95.11 -23.5 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -75.19 -44.66 45.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' A' ' 12' ' ' GLN . 2.8 pt20 -59.86 -18.96 48.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.409 ' NE ' ' HA ' ' A' ' 13' ' ' SER . 24.7 ptt180 -118.44 51.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.72 -20.97 4.47 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.6 -54.81 1.75 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.21 -118.88 1.06 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mp 57.21 25.77 11.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.358 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' A' ' 22' ' ' SER . 19.1 mm -150.67 -45.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 21' ' ' ILE . 11.7 t -36.86 -72.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -122.14 21.05 10.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.4 t -85.24 -82.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.95 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.78 -14.11 59.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.478 ' HA2' ' CD1' ' A' ' 29' ' ' ILE . . . -78.91 4.62 60.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.558 1.161 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.9 -32.18 73.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.62 65.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.495 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -80.72 -52.17 0.92 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -74.98 -2.53 12.65 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -95.88 19.3 11.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.225 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.5 m 60.73 35.39 19.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 53.25 41.15 32.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.96 -15.88 60.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.0 47.88 0.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.374 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.444 ' HB3' ' CB ' ' A' ' 40' ' ' ALA . . . -161.27 -98.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.923 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.7 m 57.25 63.15 1.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.09 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.4 t 175.01 -41.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 0.0 110.038 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.472 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 2.9 mpp_? -142.97 34.57 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.444 ' CB ' ' HB3' ' A' ' 36' ' ' ALA . . . -130.8 6.16 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.523 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -80.33 -50.02 1.15 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.039 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.3 Cg_endo -75.02 -34.12 4.04 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.521 1.8 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 1.3 mttt -85.6 -34.73 21.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -40.71 -54.02 3.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -44.8 -35.91 2.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 110.947 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.434 HD13 ' CD1' ' A' ' 6' ' ' LEU . 16.6 tp -82.8 -31.89 27.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' GLY . 2.6 mm? -72.48 -33.17 66.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -63.99 -41.4 97.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 49' ' ' ARG . 0.8 OUTLIER -63.51 -36.29 83.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 110.332 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.8 -31.85 66.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.402 ' CG2' ' HB ' ' A' ' 29' ' ' ILE . 53.8 t -81.4 -39.39 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -57.25 12.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 111.034 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.456 ' CB ' ' CZ ' ' A' ' 3' ' ' ARG . 7.7 ttp-105 70.49 -62.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.263 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.442 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -62.41 -20.02 64.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.667 ' O ' HD23 ' A' ' 9' ' ' LEU . 11.0 tp -71.58 -41.72 68.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.54 ' CB ' ' CE1' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -53.16 -23.97 9.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . -63.24 -63.25 1.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -53.71 -30.95 46.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.028 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.667 HD23 ' O ' ' A' ' 5' ' ' LEU . 4.1 mm? -67.15 -36.26 81.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.791 HD13 ' C ' ' A' ' 10' ' ' LEU . 1.2 tm? -85.39 -51.68 6.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.479 ' CD ' ' HA ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -56.39 -25.14 48.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.497 ' CB ' ' O ' ' A' ' 8' ' ' SER . 2.5 tp-100 -84.45 -35.58 22.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.9 m -80.22 -18.6 49.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.979 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.38 -50.31 13.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -56.87 -19.64 18.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -99.48 6.91 45.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.331 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.29 -44.49 3.34 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 147.1 46.6 0.03 OUTLIER Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -124.94 -171.33 13.28 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.505 ' O ' ' CG1' ' A' ' 21' ' ' ILE . 0.6 OUTLIER 54.82 42.08 31.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.763 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.505 ' CG1' ' O ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER 166.84 -31.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.3 p -59.17 -54.94 41.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 27' ' ' ASN . 1.1 tpm_? -110.55 -36.35 5.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.72 -88.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.005 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -63.55 -15.37 57.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 109.253 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -82.2 -3.59 90.51 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 23' ' ' ARG . 9.0 t30 -69.58 -17.65 63.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 0.752 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 33' ' ' ALA . 2.3 m -150.82 52.55 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.916 HG22 ' HD3' ' A' ' 30' ' ' PRO . 4.5 tt -75.31 -35.0 1.75 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.093 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.916 ' HD3' HG22 ' A' ' 29' ' ' ILE . 18.3 Cg_endo -74.98 -25.07 12.25 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.452 1.764 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -85.53 10.26 13.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.57 34.12 0.78 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.993 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' SER . . . 63.68 28.16 14.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.004 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.02 -1.33 9.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.477 ' CB ' ' HD3' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -76.49 -55.0 1.72 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.992 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.477 ' HD3' ' CB ' ' A' ' 41' ' ' SER . 18.2 Cg_endo -75.04 -31.89 5.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.434 1.755 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.571 ' O ' HD23 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -85.37 -23.32 28.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 48' ' ' ASN . . . -57.21 -56.9 22.58 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.54 ' CE1' ' CB ' ' A' ' 6' ' ' LEU . 7.1 t80 -50.78 -36.31 36.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.474 HD23 HG21 ' A' ' 21' ' ' ILE . 8.9 tp -85.19 -20.98 29.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.571 HD23 ' O ' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -84.09 -24.02 30.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 44' ' ' GLY . 31.8 t-20 -79.1 -31.83 44.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -29.68 64.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.524 ' HB3' HD11 ' A' ' 29' ' ' ILE . . . -64.43 -32.66 74.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.5 t -85.06 -28.55 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -64.4 -56.8 11.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 5' ' ' LEU . 1.4 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.543 ' HA ' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -38.92 -61.01 0.79 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.436 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -38.95 -39.21 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.282 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.489 ' CD1' HD23 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -62.57 -62.16 1.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.543 HD23 ' HA ' ' A' ' 3' ' ' ARG . 0.3 OUTLIER -48.87 -24.31 1.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . -79.46 -55.16 5.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.404 1.065 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.28 -25.71 67.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.062 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.489 HD23 ' CD1' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -69.23 -32.08 71.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.744 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -78.43 -47.73 16.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.694 ' N ' HD13 ' A' ' 10' ' ' LEU . 15.2 mtp-105 -53.71 -53.48 51.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -54.17 -32.38 55.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.275 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.496 ' OG ' ' CG2' ' A' ' 21' ' ' ILE . 0.7 OUTLIER -79.04 -41.2 29.42 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.52 1.137 . . . . 0.0 110.005 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.07 -49.93 72.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -68.39 -13.65 62.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.319 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -28.32 64.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 79.12 -52.29 4.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.482 1.114 . . . . 0.0 111.088 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.87 -61.09 4.53 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.41 82.15 1.32 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.496 ' O ' HD12 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -90.33 41.35 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.772 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.564 ' CD1' HD23 ' A' ' 46' ' ' LEU . 10.0 tt -158.03 -45.01 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 t -53.77 -24.21 14.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.04 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 27' ' ' ASN . 5.9 ptm180 -123.46 -41.33 2.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.401 ' N ' ' HG3' ' A' ' 23' ' ' ARG . 0.5 OUTLIER -50.13 -92.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.984 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.64 -14.19 57.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.77 -20.95 69.8 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.563 1.164 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 23' ' ' ARG . 32.9 m-20 -89.98 -16.4 29.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.766 . . . . 0.0 109.328 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 33' ' ' ALA . 2.5 m -96.79 -2.12 44.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.027 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.793 ' CG1' HD12 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -64.54 -51.18 61.34 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -75.02 -13.48 21.35 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 111.022 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.0 tttp -87.12 10.98 15.02 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.86 26.61 1.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.979 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 28' ' ' SER . . . 66.1 27.88 10.4 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 33' ' ' ALA . 18.2 t . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.461 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -132.66 7.43 4.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.331 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.506 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.6 OUTLIER -81.0 -51.71 0.9 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.031 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.2 Cg_endo -74.97 -33.42 4.64 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.537 1.809 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.461 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -85.46 -34.66 21.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -40.06 -61.72 1.64 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.488 ' CE2' ' HB3' ' A' ' 6' ' ' LEU . 2.1 t80 -46.34 -32.47 3.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 0.74 . . . . 0.0 110.97 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.564 HD23 ' CD1' ' A' ' 21' ' ' ILE . 13.3 tp -85.13 -30.84 23.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.793 HD12 ' CG1' ' A' ' 29' ' ' ILE . 2.9 mm? -74.22 -33.85 63.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -66.0 -35.09 79.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -36.89 78.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.62 -29.3 70.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.608 ' CG2' HD12 ' A' ' 29' ' ' ILE . 20.7 t -85.1 -25.34 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -66.57 -49.89 64.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.269 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.66 -53.29 3.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.18 -34.02 55.13 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.426 1.079 . . . . 0.0 110.336 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mt -81.29 -28.32 34.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.879 HD12 HD12 ' A' ' 46' ' ' LEU . 9.0 tp -71.81 -27.09 62.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 10' ' ' LEU . . . -72.9 -61.47 1.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.6 t -52.02 -24.54 6.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.974 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.832 ' HB2' HD13 ' A' ' 46' ' ' LEU . 39.7 mt -78.46 -28.64 46.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.794 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -84.35 -52.03 6.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.653 ' N ' HD13 ' A' ' 10' ' ' LEU . 16.5 mtm180 -51.6 -33.72 34.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -74.09 -40.07 62.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.618 1.199 . . . . 0.0 110.265 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.4 p -76.14 -18.53 59.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 110.016 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.6 -46.78 11.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -68.65 -17.81 64.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -67.49 -25.23 65.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 16' ' ' ARG . . . 37.71 55.81 1.71 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.48 1.112 . . . . 0.0 110.965 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.51 45.75 0.83 Allowed Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.13 146.63 48.18 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.03 -56.13 26.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.335 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.777 ' C ' HD12 ' A' ' 21' ' ' ILE . 1.6 pp -69.38 -8.59 10.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.36 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.56 ' N ' HD12 ' A' ' 21' ' ' ILE . 2.3 t -75.82 -29.96 58.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.027 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 27' ' ' ASN . 8.1 ptm180 -118.02 -35.31 3.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.386 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.9 m -72.17 -45.76 59.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.945 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.914 HD13 ' HB3' ' A' ' 32' ' ' SER . 0.2 OUTLIER -76.3 -10.53 59.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.413 ' C ' ' N ' ' A' ' 28' ' ' SER . . . -101.69 -32.32 5.14 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.397 1.06 . . . . 0.0 110.995 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.9 OUTLIER -44.82 -26.9 0.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 0.808 . . . . 0.0 109.248 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.413 ' N ' ' C ' ' A' ' 26' ' ' GLY . 0.2 OUTLIER -159.77 61.13 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 109.955 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.779 ' CG1' HD12 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -40.21 -53.72 5.03 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.4 Cg_endo -74.98 54.26 3.58 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.14 -55.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.914 ' HB3' HD13 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -55.69 -51.19 68.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.054 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.32 -8.5 46.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.952 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -113.54 4.83 16.35 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.514 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -77.7 -51.13 1.87 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 110.017 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.5 Cg_endo -75.06 -33.32 4.61 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.437 1.756 . . . . 0.0 111.01 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.725 ' HD2' HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -85.57 -30.5 23.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -46.64 -53.92 9.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -43.69 -35.8 1.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 0.746 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.879 HD12 HD12 ' A' ' 6' ' ' LEU . 4.7 tp -76.43 -38.15 55.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.779 HD12 ' CG1' ' A' ' 29' ' ' ILE . 0.7 OUTLIER -59.14 -40.41 85.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.02 -39.32 93.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -19.44 64.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.278 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 47' ' ' LEU . . . -69.94 -35.88 74.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.9 t -85.13 -28.75 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.342 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -61.19 -47.73 84.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.242 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.024 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -46.4 -65.84 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.338 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.785 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 1.6 mpt_? -50.98 -37.17 43.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.417 ' C ' ' N ' ' A' ' 7' ' ' ALA . 0.2 OUTLIER -54.72 -70.0 0.11 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.508 HD12 HD12 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -41.93 -28.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.785 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . -66.49 -62.48 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.495 ' O ' ' CB ' ' A' ' 12' ' ' GLN . 16.9 t -52.21 -32.37 36.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 110.048 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 9' ' ' LEU . 8.6 mt -66.9 -34.94 78.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.76 HD13 ' N ' ' A' ' 11' ' ' ARG . 0.2 OUTLIER -85.41 -50.24 7.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.437 1.086 . . . . 0.0 109.378 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.76 ' N ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -59.16 -24.83 63.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 110.229 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.495 ' CB ' ' O ' ' A' ' 8' ' ' SER . 2.1 tp60 -85.03 -33.99 22.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.8 p -78.74 -41.65 30.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.0 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.92 -36.13 62.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.246 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -81.46 -29.47 33.74 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.382 1.051 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -155.77 -92.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.41 1.069 . . . . 0.0 110.408 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 19' ' ' GLY . . . 66.5 8.55 46.43 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.449 1.093 . . . . 0.0 111.018 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' GLY . . . 37.75 30.48 0.07 OUTLIER Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 17' ' ' GLY . . . 39.65 55.02 2.75 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.61 -64.29 1.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.253 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.53 ' C ' HD12 ' A' ' 21' ' ' ILE . 1.6 pp -66.41 -14.54 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.13 -17.17 16.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.429 1.08 . . . . 0.0 109.941 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -141.1 -45.8 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 110.335 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.6 m -51.55 -94.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 0.0 109.987 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.41 HD22 ' N ' ' A' ' 25' ' ' LEU . 2.4 mm? -84.88 52.27 2.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.432 ' C ' ' N ' ' A' ' 28' ' ' SER . . . -150.74 -44.28 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.135 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -42.11 -28.35 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.425 0.721 . . . . 0.0 109.343 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.432 ' N ' ' C ' ' A' ' 26' ' ' GLY . 0.5 OUTLIER -161.24 68.14 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.865 HD11 HD12 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -45.57 -49.89 33.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -75.03 55.74 4.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.458 1.768 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.429 ' CB ' ' O ' ' A' ' 30' ' ' PRO . 0.2 OUTLIER 169.07 -61.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.588 1.18 . . . . 0.0 109.201 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.2 -35.41 17.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.006 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.04 -21.28 11.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.229 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.9 m . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.978 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 44' ' ' GLY . . . -117.57 0.45 12.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.35 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.513 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.5 OUTLIER -73.08 -51.46 6.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.052 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.1 Cg_endo -75.08 -33.16 4.71 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.5 1.789 . . . . 0.0 110.946 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.519 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -85.21 -25.41 27.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -54.61 -52.6 44.35 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.558 1.161 . . . . 0.0 111.026 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.442 ' CD1' ' C ' ' A' ' 45' ' ' PHE . 5.2 t80 -44.72 -36.6 3.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.606 HD11 ' HB2' ' A' ' 10' ' ' LEU . 2.7 tt -79.2 -34.26 43.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.603 1.189 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.865 HD12 HD11 ' A' ' 29' ' ' ILE . 1.7 mm? -71.11 -40.37 71.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -56.58 -37.57 70.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -68.63 -38.99 80.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 110.221 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.92 -27.62 66.91 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.677 HG22 HG21 ' A' ' 29' ' ' ILE . 11.2 t -77.76 -48.17 24.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.102 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -40.41 -55.15 2.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.534 1.147 . . . . 0.0 111.017 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 45' ' ' PHE . 3.4 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -139.19 -47.36 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 -55.44 -37.55 67.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.57 1.169 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.519 ' H ' HD23 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -79.8 -24.92 41.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 0.0 109.278 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.553 HD12 ' CE2' ' A' ' 45' ' ' PHE . 4.5 tp -72.13 -26.78 62.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.405 1.065 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.58 -63.19 1.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.138 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.9 m -51.15 -34.38 30.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.057 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.582 HD11 ' O ' ' A' ' 42' ' ' PRO . 26.5 mt -71.12 -33.13 69.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.36 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.588 HD22 ' O ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -74.39 -53.04 10.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.582 ' N ' HD13 ' A' ' 10' ' ' LEU . 14.4 mtp-105 -45.76 -51.19 13.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 -58.28 -34.89 71.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.4 p -75.62 -23.57 56.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.06 -50.95 9.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.095 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.441 ' C ' ' CG ' ' A' ' 16' ' ' ARG . 1.2 pt20 -72.54 -29.61 63.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.406 1.066 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.441 ' CG ' ' C ' ' A' ' 15' ' ' GLN . 0.7 OUTLIER 38.83 85.06 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.34 50.13 4.15 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.411 1.07 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.69 40.59 0.52 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 38.54 81.52 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.27 -65.47 1.01 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 0.733 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.408 HD13 ' N ' ' A' ' 22' ' ' SER . 0.1 OUTLIER -75.72 -5.68 7.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.143 . . . . 0.0 109.33 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.408 ' N ' HD13 ' A' ' 21' ' ' ILE . 0.4 OUTLIER -39.23 -85.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.992 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -142.55 24.3 1.91 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.7 -81.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.972 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.94 -12.0 60.25 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.615 1.197 . . . . 0.0 109.258 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.409 ' O ' ' CD ' ' A' ' 30' ' ' PRO . . . -70.87 -4.34 54.16 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.438 1.086 . . . . 0.0 111.004 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.401 ' C ' ' HD2' ' A' ' 30' ' ' PRO . 1.1 m-20 -87.79 -9.8 52.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.562 0.801 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 33' ' ' ALA . 80.2 p -90.61 -47.73 7.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.606 1.191 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.693 HD11 ' HA ' ' A' ' 48' ' ' ASN . 0.8 OUTLIER -40.7 -51.5 6.86 Favored Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.547 1.155 . . . . 0.0 109.324 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.4 Cg_endo -74.99 -26.09 11.27 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.495 1.787 . . . . 0.0 110.97 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 28' ' ' SER . 72.0 mttt -92.36 24.61 3.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 63.29 53.73 2.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.021 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 28' ' ' SER . . . 46.53 29.78 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.007 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 44' ' ' GLY . . . -118.51 1.19 11.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.494 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -74.45 -52.37 3.92 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.413 1.071 . . . . 0.0 109.966 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.582 ' O ' HD11 ' A' ' 9' ' ' LEU . 18.4 Cg_endo -74.92 -30.65 7.08 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.389 1.731 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.865 ' CE ' HD23 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -85.2 -32.58 22.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.147 . . . . 0.0 109.36 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 48' ' ' ASN . . . -55.93 -40.54 81.92 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.405 1.066 . . . . 0.0 111.039 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.553 ' CE2' HD12 ' A' ' 6' ' ' LEU . 5.8 t80 -54.04 -31.81 52.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 0.727 . . . . 0.0 110.982 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.581 HD22 ' HB3' ' A' ' 9' ' ' LEU . 11.0 tp -85.34 -33.91 21.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.865 HD23 ' CE ' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -72.71 -31.09 64.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.693 ' HA ' HD11 ' A' ' 29' ' ' ILE . 3.0 t-20 -68.76 -34.36 75.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.73 -31.01 66.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.427 1.08 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.55 -33.38 74.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.528 HG12 ' O ' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -84.98 -28.58 6.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.352 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.98 -51.74 68.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.15 -19.16 20.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 110.257 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -84.94 -34.8 22.41 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.536 1.147 . . . . 0.0 110.332 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.633 ' O ' HD23 ' A' ' 9' ' ' LEU . 1.6 mt -81.75 -24.63 35.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.757 ' O ' HD12 ' A' ' 6' ' ' LEU . 5.1 tp -73.3 -24.97 60.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.354 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.6 -58.81 3.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.379 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.481 ' HA ' ' CD ' ' A' ' 11' ' ' ARG . 22.3 t -52.73 -30.85 34.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.021 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.633 HD23 ' O ' ' A' ' 5' ' ' LEU . 2.3 mm? -67.67 -35.75 79.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.633 HD23 ' N ' ' A' ' 11' ' ' ARG . 0.8 OUTLIER -85.38 -50.94 6.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.633 ' N ' HD23 ' A' ' 10' ' ' LEU . 2.4 ptm180 -57.5 -16.74 10.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.292 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.17 -43.61 13.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.14 -29.74 57.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.38 -40.9 94.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -74.6 -9.0 58.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.259 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -138.53 70.86 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.244 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -40.69 -48.19 3.99 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -40.81 -84.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 79.67 119.29 0.32 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.73 -33.68 18.62 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.44 0.729 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.543 HD13 ' HG3' ' A' ' 43' ' ' LYS . 2.4 mt -80.24 -14.25 13.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.98 -16.92 57.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.92 -38.01 3.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 110.247 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.7 m -64.59 -49.39 71.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.595 1.184 . . . . 0.0 110.045 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.711 HD11 ' HB1' ' A' ' 40' ' ' ALA . 6.2 mt -85.07 -21.83 29.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.39 -23.15 68.18 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.563 1.164 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.06 -18.36 13.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.306 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 p 174.69 68.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.966 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.712 HD11 HD13 ' A' ' 47' ' ' LEU . 1.1 mt -50.3 -52.43 54.34 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.3 Cg_endo -75.04 63.47 6.03 Favored 'Trans proline' 0 C--N 1.358 1.072 0 O-C-N 124.533 1.807 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 30' ' ' PRO . 0.2 OUTLIER 164.29 -57.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.447 ' HB3' HD23 ' A' ' 25' ' ' LEU . 58.0 m -62.95 -43.48 98.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.955 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.78 -15.18 52.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.084 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.406 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 5.3 mtt-85 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.711 ' HB1' HD11 ' A' ' 25' ' ' LEU . . . -93.5 9.32 37.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.591 1.182 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.494 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.4 OUTLIER -77.92 -51.89 1.67 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.3 Cg_endo -75.02 -34.25 3.95 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.494 1.786 . . . . 0.0 110.944 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.543 ' HG3' HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -85.24 -27.05 26.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -48.54 -58.81 7.07 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.464 1.102 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.529 ' HE1' HD13 ' A' ' 6' ' ' LEU . 1.6 t80 -44.24 -33.66 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 0.8 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.522 HD22 ' HB3' ' A' ' 9' ' ' LEU . 36.5 tp -85.16 -33.86 22.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.612 1.195 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.712 HD13 HD11 ' A' ' 29' ' ' ILE . 0.7 OUTLIER -72.09 -24.03 61.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.465 ' O ' HG12 ' A' ' 51' ' ' VAL . 19.1 t-20 -75.82 -39.54 56.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -23.97 64.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.239 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.2 -34.54 75.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.36 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.465 HG12 ' O ' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -84.07 -26.49 7.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -55.24 33.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.9 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 75.51 -61.61 0.47 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 110.266 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.514 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 6.6 ttt85 -51.44 -36.02 42.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.411 ' C ' ' N ' ' A' ' 7' ' ' ALA . 0.8 OUTLIER -57.48 -75.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.361 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.526 ' O ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -46.4 -26.01 0.76 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . -70.98 -63.12 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.3 t -61.91 -29.81 70.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.074 . . . . 0.0 110.015 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.8 tp -69.35 -25.91 64.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.892 HD13 ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -83.38 -40.53 19.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.892 ' N ' HD13 ' A' ' 10' ' ' LEU . 5.9 mtp180 -61.3 -49.61 76.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.3 tp60 -59.78 -28.44 67.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 110.253 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -83.8 -55.11 4.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.051 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.56 -34.06 1.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -85.89 -32.88 21.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 13' ' ' SER . 1.7 mpt_? -163.77 -98.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 48.4 22.49 2.51 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' LEU . . . 37.84 84.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.04 69.46 0.13 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 18' ' ' GLY . 0.2 OUTLIER -108.48 -17.85 13.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.77 . . . . 0.0 109.246 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.759 HG23 HD23 ' A' ' 25' ' ' LEU . 4.4 mp -100.3 -20.01 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.85 -20.61 37.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.965 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -111.59 -43.94 3.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.575 1.172 . . . . 0.0 110.31 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.16 -78.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.006 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.759 HD23 HG23 ' A' ' 21' ' ' ILE . 3.8 mm? -58.7 -23.98 60.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.24 -39.4 92.42 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.556 1.16 . . . . 0.0 111.034 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -77.94 -12.85 60.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 0.783 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.08 -13.18 22.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.01 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.666 HD11 ' O ' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -56.01 -51.9 76.86 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -74.98 -12.52 21.56 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.777 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -85.18 9.74 14.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.83 36.32 2.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.995 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 34' ' ' SER . . . 65.72 43.38 3.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 109.244 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 33' ' ' ALA . 95.3 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.581 1.175 . . . . 0.0 110.01 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 44' ' ' GLY . . . -117.37 -0.3 12.02 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.489 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -72.45 -52.5 6.65 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 0.0 109.949 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.2 Cg_endo -75.01 -33.53 4.49 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.454 1.765 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.555 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -85.48 -22.11 28.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.209 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -55.72 -57.34 19.31 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.589 1.181 . . . . 0.0 111.023 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.48 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 2.2 t80 -48.22 -37.91 17.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.6 tp -84.73 -22.24 29.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.666 ' O ' HD11 ' A' ' 29' ' ' ILE . 0.4 OUTLIER -81.42 -23.75 37.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.474 ' O ' HG12 ' A' ' 51' ' ' VAL . 2.3 t30 -84.97 -26.91 26.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -76.86 -20.1 56.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.432 ' N ' ' HG3' ' A' ' 49' ' ' ARG . . . -73.74 -30.77 63.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.474 HG12 ' O ' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -84.97 -31.14 6.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.417 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 31.4 tp60 -67.09 -55.51 13.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 . . . . . 0 C--N 1.326 -0.428 0 O-C-N 124.402 1.064 . . . . 0.0 111.017 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 2.3 m . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 2' ' ' SER . 0.0 OUTLIER 160.83 -74.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.468 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 1.3 mpt_? -84.81 -15.18 45.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 tp -66.08 -34.2 77.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.259 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.1 tp -64.15 -23.15 67.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . -69.16 -63.59 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.488 ' HA ' ' CD ' ' A' ' 11' ' ' ARG . 3.1 m -55.19 -31.47 61.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.038 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.816 HD11 ' HA ' ' A' ' 43' ' ' LYS . 2.1 mm? -67.43 -34.88 78.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.357 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.735 HD23 ' C ' ' A' ' 10' ' ' LEU . 1.4 tt -85.48 -47.96 9.43 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.475 1.109 . . . . 0.0 109.354 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.488 ' CD ' ' HA ' ' A' ' 8' ' ' SER . 2.0 ptm180 -62.65 -14.6 45.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.422 ' CB ' ' O ' ' A' ' 8' ' ' SER . 1.9 tm0? -85.14 -42.35 14.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.255 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.0 p -76.34 -36.92 57.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.033 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.36 -42.17 86.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.588 1.18 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 16' ' ' ARG . 6.0 pt20 -72.81 -28.36 62.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.384 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER 37.45 41.8 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -48.13 -72.75 0.4 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.575 1.172 . . . . 0.0 111.032 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -93.89 -77.34 1.37 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 152.67 69.64 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.0 tp -71.1 -38.32 72.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.468 HD12 ' HE3' ' A' ' 43' ' ' LYS . 14.4 tt -100.97 5.82 10.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 21' ' ' ILE . 31.3 t -39.1 -73.82 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -155.54 25.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.219 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.12 -85.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.042 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.809 HD13 ' HB2' ' A' ' 32' ' ' SER . 0.3 OUTLIER -77.83 -27.79 50.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.448 ' C ' ' N ' ' A' ' 28' ' ' SER . . . -66.92 -52.98 29.44 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.469 1.105 . . . . 0.0 110.995 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 26' ' ' GLY . 10.1 t30 -40.0 -29.88 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 0.727 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -147.81 62.67 1.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 110.032 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.75 ' CG1' HD22 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -43.87 -50.52 19.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.3 Cg_endo -75.04 -69.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.491 1.784 . . . . 0.0 110.975 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.425 ' CB ' ' OG ' ' A' ' 28' ' ' SER . 0.7 OUTLIER -39.04 -49.01 1.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.809 ' HB2' HD13 ' A' ' 25' ' ' LEU . 13.2 m -67.19 -43.27 82.55 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.48 1.113 . . . . 0.0 110.054 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.65 ' HB2' ' O ' ' A' ' 29' ' ' ILE . . . -59.47 -16.28 23.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 109.982 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.6 mtm180 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 44' ' ' GLY . . . -107.64 -9.28 15.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.537 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -75.13 -49.65 4.05 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.023 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.4 Cg_endo -74.97 -33.05 4.91 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.816 ' HA ' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -85.63 -33.8 21.54 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -43.52 -52.95 6.17 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -44.95 -39.02 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.756 . . . . 0.0 110.988 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.414 ' CB ' HD12 ' A' ' 9' ' ' LEU . 22.5 tp -77.32 -31.94 54.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.805 HD11 ' HB3' ' A' ' 25' ' ' LEU . 10.2 mt -71.6 -45.02 63.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.481 ' O ' HG12 ' A' ' 51' ' ' VAL . 7.9 m-80 -51.03 -39.72 56.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -26.95 57.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.335 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.87 -31.33 66.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.481 HG12 ' O ' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -85.03 -23.04 7.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.89 -54.97 22.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.353 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 m . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -76.94 -57.97 3.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.586 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 7.4 mtt180 -54.45 -34.21 61.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 tp -58.15 -52.0 67.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.8 tp -41.97 -34.47 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . -60.83 -64.38 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.093 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.501 ' O ' ' CG ' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -53.81 -31.7 50.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.082 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.635 HD21 ' O ' ' A' ' 42' ' ' PRO . 5.1 mp -61.87 -39.0 90.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.757 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -72.61 -50.23 26.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.553 ' N ' HD13 ' A' ' 10' ' ' LEU . 63.9 mtp180 -55.38 -33.52 63.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.275 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.501 ' CG ' ' O ' ' A' ' 8' ' ' SER . 3.3 mm100 -67.54 -42.75 82.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.175 . . . . 0.0 110.351 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.2 p -78.77 -19.81 51.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 109.996 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.46 -50.0 10.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.353 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -63.41 -12.11 28.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.33 77.74 1.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.14 -37.35 79.59 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.67 -59.0 1.38 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.44 -99.84 1.9 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mp 62.25 14.46 6.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.481 HG22 HD21 ' A' ' 47' ' ' LEU . 8.5 mm -135.42 -46.55 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.0 109.245 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.87 -16.67 61.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.372 1.045 . . . . 0.0 109.966 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.15 -33.57 6.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.86 -39.76 34.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.033 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.09 -11.58 54.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.475 ' HA2' HD12 ' A' ' 29' ' ' ILE . . . -77.33 -11.84 85.13 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.54 -17.92 16.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.482 ' CB ' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -170.17 68.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.739 HD11 ' CD1' ' A' ' 47' ' ' LEU . 1.5 mt -76.94 -50.95 2.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.237 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -75.1 -12.21 21.31 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 0.0 110.967 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.482 ' HB2' ' CB ' ' A' ' 28' ' ' SER . 26.7 mttt -85.2 9.62 14.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.59 32.5 3.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 110.091 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 58.24 35.41 24.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.017 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 44' ' ' GLY . . . -119.93 -2.44 10.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.497 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -73.12 -51.84 5.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 109.986 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.635 ' O ' HD21 ' A' ' 9' ' ' LEU . 18.3 Cg_endo -75.02 -33.43 4.56 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.52 1.8 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.55 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -85.24 -24.5 27.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 48' ' ' ASN . . . -53.51 -56.51 19.58 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.403 1.064 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.416 ' HB3' ' CD2' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -48.01 -43.11 29.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 0.0 111.013 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.509 HD22 ' O ' ' A' ' 9' ' ' LEU . 13.9 tp -80.11 -21.69 42.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.246 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.739 ' CD1' HD11 ' A' ' 29' ' ' ILE . 1.5 mm? -81.47 -22.99 37.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 44' ' ' GLY . 22.9 t-20 -81.96 -32.8 30.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -25.39 63.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.256 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.99 -42.27 98.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 t -85.29 -22.9 7.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -61.3 -47.37 86.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.975 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.455 ' O ' HD23 ' A' ' 6' ' ' LEU . 24.9 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -93.88 -52.97 4.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.253 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.698 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -83.23 -21.78 33.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.253 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.438 ' C ' ' N ' ' A' ' 7' ' ' ALA . 1.1 mp -62.84 -70.61 0.2 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.455 HD23 ' O ' ' A' ' 2' ' ' SER . 0.7 OUTLIER -40.67 -29.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.369 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.698 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . -60.34 -67.13 0.42 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.525 ' O ' ' CG ' ' A' ' 12' ' ' GLN . 35.7 t -53.98 -38.67 65.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.03 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.593 HD12 HD12 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -63.12 -31.39 72.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.844 HD13 ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -85.76 -47.15 10.01 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.363 179.901 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.844 ' N ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -65.45 -28.24 69.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.366 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.525 ' CG ' ' O ' ' A' ' 8' ' ' SER . 5.7 mm-40 -85.34 -39.59 17.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.454 ' HG ' ' HA ' ' A' ' 10' ' ' LEU . 90.3 p -73.57 -32.17 64.01 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.463 1.102 . . . . 0.0 110.04 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.11 -40.23 95.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -78.18 -25.58 47.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.268 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 38.9 51.56 1.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.249 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -89.64 33.16 4.48 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.541 1.151 . . . . 0.0 111.031 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 119.7 63.48 0.27 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.459 ' O ' ' CB ' ' A' ' 22' ' ' SER . . . -115.79 102.15 1.07 Allowed Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 24' ' ' SER . 1.1 mt -62.2 -59.77 4.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 0.74 . . . . 0.0 109.222 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.572 HD13 ' N ' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -48.6 -24.18 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 1.6 t -54.38 -25.9 27.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.97 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -141.29 -47.28 0.39 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 20' ' ' LEU . 1.9 m -42.8 -49.45 5.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.989 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.731 ' HB3' HD11 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -84.6 -22.81 29.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.52 -11.57 42.13 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 111.05 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -102.39 -13.34 17.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.586 0.815 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.6 ' HB2' HD13 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -93.98 -2.56 52.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.019 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.698 HG13 HD22 ' A' ' 47' ' ' LEU . 1.3 mm -68.58 -49.5 29.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.5 Cg_endo -75.0 -9.77 20.91 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.541 1.811 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -86.31 11.19 12.75 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.434 1.084 . . . . 0.0 109.341 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 72.8 m 66.11 40.07 4.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 34' ' ' SER . . . 65.03 44.46 3.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 33' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.968 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.01 4.86 45.03 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.531 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.5 OUTLIER -77.39 -50.16 2.15 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.046 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.2 Cg_endo -75.01 -33.4 4.6 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.478 1.778 . . . . 0.0 111.049 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.501 ' CD ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -85.67 -32.65 21.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -42.75 -56.98 4.14 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -45.72 -31.84 2.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 0.797 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.593 HD12 HD12 ' A' ' 9' ' ' LEU . 8.1 mt -84.83 -32.93 23.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.731 HD11 ' HB3' ' A' ' 25' ' ' LEU . 7.2 mt -72.63 -37.32 68.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.249 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.569 ' O ' HG12 ' A' ' 51' ' ' VAL . 20.8 t-20 -59.74 -38.03 80.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.13 -25.99 58.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.8 -30.71 68.31 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.569 HG12 ' O ' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -85.09 -28.11 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.8 tp60 -63.94 -55.98 18.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.356 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 179.955 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.573 ' O ' ' CE2' ' A' ' 45' ' ' PHE . 52.7 p . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.08 -60.34 2.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.478 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 1.5 mtm105 -56.92 -24.47 52.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.419 ' CB ' ' HB2' ' A' ' 2' ' ' SER . 10.6 tp -68.01 -37.82 81.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.54 ' HG ' HD12 ' A' ' 46' ' ' LEU . 1.4 tt -58.07 -24.82 59.99 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.488 1.118 . . . . 0.0 109.357 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . -63.51 -66.83 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.41 ' O ' ' CG ' ' A' ' 12' ' ' GLN . 24.5 t -55.39 -35.82 65.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 0.0 109.978 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.534 ' HB3' HD22 ' A' ' 46' ' ' LEU . 5.9 mt -59.05 -40.3 84.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.604 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -70.6 -52.39 21.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.578 ' N ' HD13 ' A' ' 10' ' ' LEU . 14.8 mtp-105 -52.84 -31.96 41.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 110.333 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.41 ' CG ' ' O ' ' A' ' 8' ' ' SER . 4.0 mm-40 -72.63 -41.37 65.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.3 p -76.26 -32.62 58.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.13 -44.49 79.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 16' ' ' ARG . 5.4 pt20 -76.29 -24.5 54.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' GLN . 0.4 OUTLIER 38.25 73.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.286 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.09 -47.49 11.14 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.57 -65.1 0.26 Allowed Glycine 0 CA--C 1.529 0.964 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.64 61.28 0.01 OUTLIER Glycine 0 CA--C 1.529 0.929 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.517 HD23 ' H ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -64.12 -33.98 77.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 0.748 . . . . 0.0 109.274 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.891 HD12 HD21 ' A' ' 47' ' ' LEU . 28.7 mm -131.49 9.71 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.3 -86.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.31 10.31 11.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.259 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 m -82.14 -94.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.962 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.868 ' O ' HD11 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -84.98 47.93 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.93 -48.73 0.04 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -51.11 -22.44 2.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 0.785 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 32' ' ' SER . 55.5 m -138.9 63.48 1.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.862 HG23 HG22 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -58.69 -45.26 99.65 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.248 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.709 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 18.5 Cg_endo -75.0 -46.41 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.415 1.745 . . . . 0.0 111.028 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.464 ' CB ' ' HB3' ' A' ' 28' ' ' SER . 0.0 OUTLIER -64.64 -61.42 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.35 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 28' ' ' SER . 16.5 m -50.8 -22.26 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.059 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.709 ' HB3' ' O ' ' A' ' 30' ' ' PRO . . . -58.06 -17.09 15.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 53.1 m . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.055 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 44' ' ' GLY . . . -115.47 0.88 13.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.5 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -72.41 -52.25 6.93 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.1 . . . . 0.0 109.993 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.4 Cg_endo -74.92 -33.98 4.28 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.485 1.781 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.804 ' O ' HD23 ' A' ' 47' ' ' LEU . 1.9 mmtt -85.55 -20.72 29.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -56.53 -57.01 21.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.544 1.153 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.573 ' CE2' ' O ' ' A' ' 2' ' ' SER . 33.4 t80 -44.96 -40.48 6.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 111.007 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.54 HD12 ' HG ' ' A' ' 6' ' ' LEU . 7.6 tp -76.9 -30.64 56.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.891 HD21 HD12 ' A' ' 21' ' ' ILE . 4.0 mm? -71.96 -43.2 65.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -54.26 -41.74 69.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.406 ' NH2' ' OE1' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -61.62 -41.8 97.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.601 ' O ' ' CD1' ' A' ' 53' ' ' TYR . . . -64.45 -50.89 65.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.862 HG22 HG23 ' A' ' 29' ' ' ILE . 17.2 t -46.86 -34.12 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.357 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -44.69 -62.98 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.352 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.7 p . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -68.9 -18.65 64.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -78.28 -34.3 48.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.283 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.621 HD23 ' N ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -60.4 -68.15 0.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.747 HD23 ' CZ ' ' A' ' 45' ' ' PHE . 1.6 pp -48.04 -33.89 8.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.04 -56.13 14.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 12' ' ' GLN . 53.5 m -54.11 -28.2 37.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.1 mt -70.61 -35.95 73.24 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.433 1.083 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.795 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -85.34 -48.74 8.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.701 ' N ' HD13 ' A' ' 10' ' ' LEU . 2.4 ptm180 -59.36 -27.12 65.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.489 ' CB ' ' O ' ' A' ' 8' ' ' SER . 2.8 tp60 -85.03 -31.5 23.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.2 p -81.68 -20.12 40.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.985 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.41 -39.79 37.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -80.23 2.06 25.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -90.43 16.72 8.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 37.74 62.62 0.96 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 154.48 -55.22 0.42 Allowed Glycine 0 CA--C 1.531 1.061 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.76 136.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.14 -46.46 16.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 0.811 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.542 HD11 HD21 ' A' ' 47' ' ' LEU . 10.2 tp -92.68 9.71 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.8 -51.66 9.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.932 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -164.78 28.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 110.277 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.36 -65.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.03 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.409 ' HB2' ' CD1' ' A' ' 21' ' ' ILE . 0.3 OUTLIER -81.61 -24.44 36.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.147 . . . . 0.0 109.36 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.75 -17.05 62.22 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.472 1.108 . . . . 0.0 110.975 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.2 -12.03 29.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 33' ' ' ALA . 1.4 m -93.62 -10.45 34.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.991 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.651 HG13 HD13 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -71.65 -53.0 7.74 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.591 1.182 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.4 Cg_endo -74.92 -13.85 21.48 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.524 1.802 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.442 ' CG ' ' HB2' ' A' ' 34' ' ' SER . 15.9 tttt -86.99 12.42 11.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.523 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.4 OUTLIER 67.28 34.16 5.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.46 1.1 . . . . 0.0 110.049 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 32' ' ' SER . . . 72.54 47.39 0.25 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.127 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 33' ' ' ALA . 9.2 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.409 ' O ' ' CA ' ' A' ' 44' ' ' GLY . . . -120.32 -2.98 10.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.465 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -74.76 -53.78 3.05 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.0 Cg_endo -74.96 -32.87 5.09 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.477 1.777 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.551 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -85.44 -24.02 27.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -52.75 -62.04 6.24 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.548 1.155 . . . . 0.0 111.044 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.747 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 1.7 t80 -43.57 -34.92 1.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 0.728 . . . . 0.0 111.018 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.7 tt -84.25 -34.19 23.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.347 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.651 HD13 HG13 ' A' ' 29' ' ' ILE . 0.1 OUTLIER -70.67 -29.88 66.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 44' ' ' GLY . 0.8 OUTLIER -70.44 -37.23 74.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.63 -27.19 64.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 110.336 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.59 ' HA ' ' CD2' ' A' ' 53' ' ' TYR . . . -75.11 -51.94 12.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -61.18 -15.65 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.68 -50.98 11.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.637 ' CD1' ' C ' ' A' ' 53' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.411 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 80.7 p . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.411 ' CB ' ' O ' ' A' ' 2' ' ' SER . 0.0 OUTLIER 78.24 -60.86 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.255 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.587 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -70.59 -30.65 67.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.27 -68.03 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.594 HD12 HD12 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -45.43 -29.43 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . -65.8 -64.3 0.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.466 ' O ' ' CG ' ' A' ' 12' ' ' GLN . 0.9 OUTLIER -49.76 -31.24 11.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 110.007 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.825 HD12 HD22 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -74.43 -32.95 62.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.727 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -74.59 -41.03 61.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 109.327 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.447 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 29.9 mtp180 -65.87 -21.42 66.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.334 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.466 ' CG ' ' O ' ' A' ' 8' ' ' SER . 9.3 mm-40 -78.18 -43.5 28.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.32 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.1 t -75.53 -30.38 59.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.045 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.6 -44.98 73.18 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 11' ' ' ARG . 4.6 pt20 -74.7 -30.76 61.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 38.79 85.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -118.14 51.06 0.76 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.538 1.149 . . . . 0.0 110.951 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 151.39 -65.63 0.36 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.6 67.04 0.94 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.74 -10.71 20.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.767 . . . . 0.0 109.213 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.473 ' CD1' ' HB3' ' A' ' 43' ' ' LYS . 0.7 OUTLIER -116.0 -1.92 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 109.34 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.0 m -109.37 -22.75 11.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -103.71 -46.79 4.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.61 -72.93 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.975 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.919 HD13 ' OG ' ' A' ' 32' ' ' SER . 1.6 mm? -84.13 48.79 1.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.167 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -137.45 -62.31 0.05 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.554 1.159 . . . . 0.0 111.063 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -52.96 -21.16 4.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 0.785 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.51 ' O ' ' N ' ' A' ' 32' ' ' SER . 62.9 m -145.74 53.23 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 110.044 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.715 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -43.47 -50.08 17.07 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.1 Cg_endo -74.94 -65.66 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.482 1.78 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.31 -58.05 3.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.919 ' OG ' HD13 ' A' ' 25' ' ' LEU . 22.3 p -56.78 -37.43 71.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.996 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 29' ' ' ILE . . . -65.66 -10.99 41.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.259 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.071 179.941 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.48 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 31.1 mtt180 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.408 ' O ' ' HA3' ' A' ' 44' ' ' GLY . . . -94.53 8.85 40.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.547 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.5 OUTLIER -80.05 -49.05 1.29 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 41' ' ' SER . 17.9 Cg_endo -75.15 -34.29 3.81 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.486 1.782 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.532 ' HG2' HD21 ' A' ' 9' ' ' LEU . 3.5 mtpt -85.48 -38.3 18.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -37.35 -53.38 1.71 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.123 . . . . 0.0 111.046 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -44.01 -44.75 7.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 111.026 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.825 HD22 HD12 ' A' ' 9' ' ' LEU . 1.7 tp -73.17 -30.21 63.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.25 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.648 HD13 HG12 ' A' ' 29' ' ' ILE . 10.7 mt -71.85 -46.99 56.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.59 1.181 . . . . 0.0 109.242 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -50.05 -39.5 42.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.417 1.073 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.33 -23.28 43.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.31 -30.39 57.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -85.02 -25.77 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -48.7 68.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.353 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.005 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 69.72 -60.19 0.48 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 0.0 110.323 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -54.96 -32.63 61.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.342 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.1 tp -66.15 -33.75 76.48 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.578 1.174 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.2 tp -64.69 -26.75 68.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.09 -62.4 1.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.92 -28.64 17.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.979 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.495 ' HB3' HD13 ' A' ' 46' ' ' LEU . 0.4 OUTLIER -69.8 -32.01 70.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.735 HD23 ' N ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -81.45 -46.14 15.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.342 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.735 ' N ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -60.53 -19.21 56.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -85.01 -40.55 16.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.3 t -77.29 -24.33 51.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 110.049 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.38 -39.07 48.59 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 109.238 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -79.85 -4.3 51.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 110.254 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -101.37 -24.21 14.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.265 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.67 -56.22 3.79 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 159.43 50.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -107.59 -50.91 0.78 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.455 HD23 ' N ' ' A' ' 21' ' ' ILE . 1.2 pt? -61.81 -16.8 52.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.763 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.455 ' N ' HD23 ' A' ' 20' ' ' LEU . 14.9 tt -125.27 14.6 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.17 . . . . 0.0 109.249 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.5 t -42.35 -49.31 5.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.974 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.01 37.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.347 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.42 -72.41 0.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.421 1.075 . . . . 0.0 109.991 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.674 HD11 ' HB1' ' A' ' 40' ' ' ALA . 14.5 mt -84.82 -29.13 25.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.38 -22.89 63.91 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -54.54 -20.16 7.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.409 0.711 . . . . 0.0 109.353 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.6 63.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.928 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 1.105 HD11 HD12 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -45.76 -51.31 30.22 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -74.99 54.66 3.71 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.49 1.784 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 32' ' ' SER . 0.3 OUTLIER 175.51 -59.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.433 ' C ' ' N ' ' A' ' 34' ' ' SER . 2.9 m -65.58 -40.62 92.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.173 . . . . 0.0 109.953 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -39.91 -30.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.433 ' N ' ' C ' ' A' ' 32' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 109.954 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.462 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 3.5 tpp85 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.674 ' HB1' HD11 ' A' ' 25' ' ' LEU . . . -132.57 5.67 4.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.508 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -83.78 -51.77 0.61 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.989 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.5 Cg_endo -74.98 -33.09 4.87 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.587 1.835 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.462 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -85.76 -35.79 20.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.598 1.186 . . . . 0.0 109.25 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 48' ' ' ASN . . . -45.65 -43.44 11.32 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.494 1.121 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -54.44 -38.96 66.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 111.087 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.495 HD13 ' HB3' ' A' ' 9' ' ' LEU . 9.7 tp -85.34 -23.08 28.21 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.423 1.077 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 1.105 HD12 HD11 ' A' ' 29' ' ' ILE . 1.1 mm? -80.13 -27.46 39.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 44' ' ' GLY . 1.0 OUTLIER -78.7 -29.74 45.64 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.586 1.179 . . . . 0.0 109.305 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.417 ' HG3' ' N ' ' A' ' 50' ' ' ALA . 1.9 ppt_? -74.45 -21.34 59.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.417 ' N ' ' HG3' ' A' ' 49' ' ' ARG . . . -74.36 -28.59 61.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.595 ' CG2' ' CG2' ' A' ' 29' ' ' ILE . 29.0 t -74.94 -59.95 2.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.566 1.166 . . . . 0.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -44.3 -38.63 4.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.097 . . . . 0.0 110.991 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.17 -57.7 3.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.592 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 4.3 mtm180 -52.43 -32.35 38.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 tp -56.7 -59.25 5.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.963 HD12 HD12 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -46.52 -35.35 5.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.231 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . -62.76 -63.53 1.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.4 m -58.17 -31.49 67.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.028 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.792 ' HB3' HD22 ' A' ' 46' ' ' LEU . 0.9 OUTLIER -65.72 -32.2 73.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.147 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.667 HD13 ' N ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -78.43 -50.69 11.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 109.269 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.667 ' N ' HD13 ' A' ' 10' ' ' LEU . 15.4 mtp-105 -50.85 -52.25 43.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.251 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -51.6 -39.76 58.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.446 1.091 . . . . 0.0 110.26 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.64 -31.26 59.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 109.99 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.76 -33.96 74.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.51 -51.11 6.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.334 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 56.49 91.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -98.25 -54.4 1.18 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -114.58 -55.39 0.39 Allowed Glycine 0 CA--C 1.531 1.061 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.463 ' O ' HG22 ' A' ' 21' ' ' ILE . . . 135.49 -101.25 0.38 Allowed Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 mp 53.62 22.93 3.28 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.47 0.747 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.463 HG22 ' O ' ' A' ' 19' ' ' GLY . 17.2 tt -143.44 -47.08 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.248 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.78 -19.57 32.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.01 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -93.83 -54.11 3.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.395 1.06 . . . . 0.0 110.248 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.7 m -66.07 -89.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.027 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.641 HD11 ' CB ' ' A' ' 40' ' ' ALA . 2.0 mt -80.52 55.03 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.237 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.2 -46.51 0.05 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.476 1.11 . . . . 0.0 110.943 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -52.5 -21.13 3.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 0.745 . . . . 0.0 109.333 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -166.72 78.21 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.95 ' CD1' HD12 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -63.45 -43.91 80.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.6 Cg_endo -74.98 0.58 8.72 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.504 1.792 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -137.62 16.45 2.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 28' ' ' SER . 1.7 m -111.35 -42.47 3.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 110.088 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.69 -13.73 35.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.584 1.178 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.03 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.641 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -98.29 0.31 45.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.493 ' CB ' ' HD3' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -68.78 -55.78 10.56 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.04 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.493 ' HD3' ' CB ' ' A' ' 41' ' ' SER . 18.2 Cg_endo -75.01 -28.43 9.16 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.504 1.792 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.885 ' CD ' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -85.08 -23.51 28.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -63.81 -50.02 64.14 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.679 ' HE1' HD13 ' A' ' 6' ' ' LEU . 6.3 t80 -46.08 -32.69 3.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 0.784 . . . . 0.0 111.006 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.963 HD12 HD12 ' A' ' 6' ' ' LEU . 6.6 tp -84.35 -32.74 24.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.95 HD12 ' CD1' ' A' ' 29' ' ' ILE . 1.3 mm? -73.64 -34.16 64.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 44' ' ' GLY . 1.3 m-20 -62.88 -39.66 95.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.23 -38.39 90.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.609 ' O ' ' CD1' ' A' ' 53' ' ' TYR . . . -52.13 -38.33 57.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.496 ' CG2' HG21 ' A' ' 29' ' ' ILE . 85.9 t -84.21 -27.52 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.51 -55.56 32.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.157 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.609 ' CD1' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.02 -49.74 39.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.239 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.88 -39.21 84.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 tp -62.07 -51.55 67.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.908 HD13 ' N ' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -52.22 -45.81 65.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.908 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -56.86 -58.46 8.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.87 -23.48 2.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.944 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.917 ' HB3' HD22 ' A' ' 46' ' ' LEU . 1.1 mm? -81.53 -31.76 32.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.771 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -80.87 -47.95 13.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.365 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.749 ' N ' HD13 ' A' ' 10' ' ' LEU . 21.3 mtm180 -54.74 -50.75 67.62 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.448 1.092 . . . . 0.0 110.285 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -49.17 -43.57 42.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 110.341 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.07 -29.75 60.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.965 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.71 -32.82 73.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.184 . . . . 0.0 109.243 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.35 -51.49 6.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.152 . . . . 0.0 110.335 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.24 -42.04 4.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.413 1.071 . . . . 0.0 110.291 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.4 -52.69 3.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.55 -60.32 5.93 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 79.31 90.86 0.41 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.44 -54.94 5.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 0.746 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.478 ' CG2' HD21 ' A' ' 47' ' ' LEU . 1.3 mp -56.71 -18.64 7.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.5 p -52.89 -57.62 9.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.979 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -102.32 -33.18 9.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.334 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.7 t -53.92 -86.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.966 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.17 54.61 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.44 ' HA2' HD12 ' A' ' 47' ' ' LEU . . . -140.08 -44.47 0.07 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.432 1.082 . . . . 0.0 111.027 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -45.07 -26.52 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 0.792 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 26' ' ' GLY . 12.0 p -112.48 48.89 0.96 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.95 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.563 HD11 HD12 ' A' ' 47' ' ' LEU . 0.6 OUTLIER -77.64 -53.71 1.5 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.4 Cg_endo -74.98 -10.37 21.21 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.508 1.793 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -78.71 2.44 19.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 71.41 33.14 1.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.969 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 54.02 27.41 7.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.002 179.922 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.48 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.416 ' O ' ' HA3' ' A' ' 44' ' ' GLY . . . -93.6 12.28 25.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.51 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.5 OUTLIER -81.92 -51.39 0.81 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.959 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.2 Cg_endo -75.05 -33.93 4.16 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.777 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.591 ' HG2' HD11 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -85.5 -36.84 20.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -38.07 -56.71 1.78 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.568 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 5.9 t80 -44.84 -38.46 4.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 0.733 . . . . 0.0 111.043 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.917 HD22 ' HB3' ' A' ' 9' ' ' LEU . 55.2 tp -78.98 -31.49 44.91 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.563 HD12 HD11 ' A' ' 29' ' ' ILE . 4.3 mm? -72.48 -36.93 68.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.426 1.079 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.59 -37.12 85.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.595 1.185 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -32.28 71.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.13 -34.98 72.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -85.19 -29.29 6.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -59.91 -48.54 81.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 110.973 -179.949 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.68 -44.53 85.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -38.68 90.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.587 1.179 . . . . 0.0 110.253 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.543 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -65.57 -55.89 15.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.16 . . . . 0.0 109.284 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.648 HD22 ' CE1' ' A' ' 45' ' ' PHE . 2.4 tp -56.31 -24.96 46.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.39 -55.25 5.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.248 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.99 -25.75 61.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.992 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.758 ' HB3' HD13 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -74.55 -29.72 61.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.773 HD13 ' N ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -79.06 -46.23 18.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.773 ' N ' HD13 ' A' ' 10' ' ' LEU . 68.7 mtp180 -54.03 -37.89 64.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.2 tp60 -69.98 -35.4 74.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.1 t -77.86 -32.11 51.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.1 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.53 -49.43 59.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.424 ' NE2' ' O ' ' A' ' 11' ' ' ARG . 4.9 pt20 -68.79 -14.23 62.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.7 mtt85 -140.58 68.97 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.3 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -40.53 -36.68 1.06 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.541 1.15 . . . . 0.0 111.02 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -47.26 -79.19 0.07 OUTLIER Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 65.23 108.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mt -74.19 -42.58 59.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 0.0 109.352 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.482 HD13 ' N ' ' A' ' 22' ' ' SER . 0.1 OUTLIER -69.86 -10.67 13.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.482 ' N ' HD13 ' A' ' 21' ' ' ILE . 0.5 OUTLIER -67.08 -19.81 65.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.957 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.51 -56.23 1.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.21 -44.3 22.34 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 110.067 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.15 -22.5 28.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.538 ' HA3' HD11 ' A' ' 29' ' ' ILE . . . -82.93 11.08 55.74 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -69.86 -16.92 63.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.424 0.72 . . . . 0.0 109.305 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 m -146.13 60.03 1.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.422 1.076 . . . . 0.0 109.996 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.538 HD11 ' HA3' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -82.16 -52.17 0.74 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.3 Cg_endo -75.01 0.91 8.34 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.533 1.807 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.52 14.09 17.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.589 1.18 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.4 m 67.69 41.87 2.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.057 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 59.18 39.33 23.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.219 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.007 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 44' ' ' GLY . . . -116.41 2.11 13.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.517 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.6 OUTLIER -73.35 -51.26 5.83 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.952 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.4 Cg_endo -74.93 -33.41 4.71 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.589 1.836 . . . . 0.0 111.033 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.566 ' HD2' HD21 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -85.43 -25.32 27.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -55.09 -47.27 74.55 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.648 ' CE1' HD22 ' A' ' 6' ' ' LEU . 1.3 t80 -52.36 -41.06 62.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 0.782 . . . . 0.0 110.961 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.758 HD13 ' HB3' ' A' ' 9' ' ' LEU . 0.9 OUTLIER -85.16 -16.03 41.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.404 HD21 HG12 ' A' ' 21' ' ' ILE . 0.5 OUTLIER -85.17 -30.31 24.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' GLY . 2.0 t30 -81.85 -31.87 31.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.544 ' HD3' HD12 ' A' ' 46' ' ' LEU . 4.2 ptm180 -74.86 -11.86 60.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.95 -37.27 40.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.493 HG23 ' CG2' ' A' ' 29' ' ' ILE . 2.3 t -71.52 -58.21 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 53' ' ' TYR . 13.6 pt20 -40.19 -42.64 1.52 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 110.288 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.413 ' N ' ' HG3' ' A' ' 52' ' ' GLN . 1.4 m-30 . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 m . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -45.84 -68.25 0.21 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.43 1.081 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.55 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -48.4 -38.3 19.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.429 ' C ' ' N ' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -54.09 -77.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.573 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -42.86 -28.33 0.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . -71.24 -57.97 3.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.5 p -60.89 -24.22 65.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.64 -26.8 62.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.386 1.054 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.784 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -84.6 -45.56 12.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.776 ' N ' HD13 ' A' ' 10' ' ' LEU . 57.4 mtp180 -58.36 -36.52 73.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.239 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -72.75 -32.72 65.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 t -78.16 -33.54 50.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 110.055 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.64 -42.92 70.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -75.45 -11.89 60.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.51 1.131 . . . . 0.0 110.333 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -57.42 -33.91 68.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.224 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.88 -52.55 3.97 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.557 1.161 . . . . 0.0 111.02 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.0 -59.67 8.24 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 154.45 -91.6 0.13 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mt 66.75 25.92 9.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 0.805 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 12.1 tt -159.95 -44.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.41 -61.08 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.941 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.3 ptt-85 -157.51 26.68 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.1 m -75.05 -96.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.505 HD11 ' CB ' ' A' ' 32' ' ' SER . 4.2 tp -84.13 7.18 19.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.44 ' C ' ' N ' ' A' ' 28' ' ' SER . . . -86.68 -36.62 9.25 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.553 1.158 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -43.46 -26.9 0.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.44 ' N ' ' C ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -154.24 83.52 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.962 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.714 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -75.63 -39.48 2.97 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.714 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.4 Cg_endo -75.05 -11.32 21.38 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.537 1.809 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.8 -0.7 14.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.505 ' CB ' HD11 ' A' ' 25' ' ' LEU . 55.6 p -89.14 -34.2 16.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.031 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.46 -15.39 26.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.127 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.5 p . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.565 1.166 . . . . 0.0 109.962 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 44' ' ' GLY . . . -93.15 -0.98 56.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.51 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -74.11 -51.62 4.66 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 110.058 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.4 Cg_endo -75.05 -31.95 5.72 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.5 1.789 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.501 ' CD ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -85.56 -32.18 22.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -46.36 -54.1 8.93 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.601 1.188 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.573 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 2.2 t80 -45.01 -33.43 2.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.453 HD23 ' HE2' ' A' ' 43' ' ' LYS . 11.5 tp -82.7 -34.35 27.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.624 HD12 HG21 ' A' ' 29' ' ' ILE . 0.1 OUTLIER -70.4 -37.87 74.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -59.65 -43.95 93.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.155 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -66.6 -26.57 67.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 47' ' ' LEU . . . -62.27 -38.26 88.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 38.3 t -85.11 -26.07 6.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.18 -54.61 34.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.417 1.073 . . . . 0.0 111.047 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.413 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 10.2 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.686 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 4.7 mtt85 -44.38 -38.7 4.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.435 1.084 . . . . 0.0 110.291 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -65.34 -41.41 93.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 110.252 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.413 ' HB2' ' CB ' ' A' ' 2' ' ' SER . 3.5 tp -66.82 -59.27 3.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.53 HD11 ' HA ' ' A' ' 3' ' ' ARG . 0.3 OUTLIER -59.55 -17.98 37.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 3' ' ' ARG . . . -77.09 -59.39 2.8 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.508 1.13 . . . . 0.0 109.368 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.6 t -50.7 -30.52 13.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.042 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.15 -28.52 54.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.734 HD23 ' C ' ' A' ' 10' ' ' LEU . 3.3 tt -84.4 -53.63 5.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.503 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 18.6 mtm180 -48.95 -23.03 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -85.21 -40.9 16.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.348 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.7 t -73.67 -26.05 60.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.932 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.74 -31.04 71.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.433 1.083 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 11' ' ' ARG . 0.2 OUTLIER -85.28 -45.63 11.77 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.57 1.169 . . . . 0.0 110.322 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -38.21 -31.39 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.27 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 15' ' ' GLN . . . 77.71 -52.96 3.61 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.478 1.111 . . . . 0.0 110.975 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.24 -64.94 2.77 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.79 110.79 0.09 OUTLIER Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.19 -68.4 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.471 HG22 ' CE ' ' A' ' 43' ' ' LYS . 2.5 pp -52.21 -22.05 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.29 -22.49 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.989 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.2 ptt-85 -146.91 -45.82 0.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 m -43.15 -89.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.615 ' HB3' HD11 ' A' ' 47' ' ' LEU . 0.7 OUTLIER -70.31 -25.22 63.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.71 -23.52 63.21 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.442 1.089 . . . . 0.0 110.995 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -86.39 -15.0 41.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 0.72 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.97 -10.37 36.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 0.0 109.972 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.889 HG13 HD22 ' A' ' 47' ' ' LEU . 0.7 OUTLIER -68.3 -53.31 18.63 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.3 Cg_endo -74.97 -10.46 21.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.78 . . . . 0.0 111.02 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -82.48 6.27 17.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.498 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.5 OUTLIER 69.08 34.88 2.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 32' ' ' SER . . . 71.92 48.04 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 33' ' ' ALA . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.966 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -93.46 7.17 45.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.5 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.5 OUTLIER -77.58 -51.54 1.86 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.4 Cg_endo -75.0 -32.33 5.46 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.515 1.797 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.471 ' CE ' HG22 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -85.84 -33.37 21.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -44.25 -53.02 6.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.553 ' CD1' ' N ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -46.35 -38.43 8.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.774 . . . . 0.0 110.976 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.553 ' N ' ' CD1' ' A' ' 45' ' ' PHE . 12.1 tp -84.92 -23.57 28.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.257 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.889 HD22 HG13 ' A' ' 29' ' ' ILE . 0.2 OUTLIER -76.79 -34.03 57.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -70.44 -36.04 73.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -69.19 -22.23 63.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.35 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.437 ' N ' ' HG3' ' A' ' 49' ' ' ARG . . . -64.52 -38.75 92.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.244 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.6 t -82.93 -32.8 9.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -48.51 -48.16 38.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 110.253 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.463 1.102 . . . . 0.0 110.956 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.46 -57.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -31.65 72.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tp -66.19 -22.88 66.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.639 HD11 ' HD3' ' A' ' 49' ' ' ARG . 26.1 tp -69.53 -26.29 64.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.33 -62.55 1.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -32.81 41.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.852 HD13 ' HB2' ' A' ' 46' ' ' LEU . 6.0 mt -68.27 -34.5 76.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.371 1.044 . . . . 0.0 109.368 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.592 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -74.48 -52.81 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.578 ' N ' HD13 ' A' ' 10' ' ' LEU . 50.4 mtp180 -53.98 -55.45 27.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.232 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -50.65 -26.27 5.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.419 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 1.7 t -95.11 -23.5 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -75.19 -44.66 45.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -59.86 -18.96 48.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.419 ' NE ' ' HA ' ' A' ' 13' ' ' SER . 24.7 ptt180 -118.44 51.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.72 -20.97 4.47 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.6 -54.81 1.75 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.21 -118.88 1.06 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mp 57.21 25.77 11.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.358 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 21' ' ' ILE . 19.1 mm -150.67 -45.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 21' ' ' ILE . 11.7 t -36.86 -72.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -122.14 21.05 10.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.4 t -85.24 -82.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.95 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.715 HD11 ' HB2' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -77.78 -14.11 59.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.478 ' HA2' ' CD1' ' A' ' 29' ' ' ILE . . . -78.91 4.62 60.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.558 1.161 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.9 -32.18 73.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.62 65.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.719 HD13 HD12 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -80.72 -52.17 0.92 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -74.98 -2.53 12.65 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -95.88 19.3 11.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.225 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.5 m 60.73 35.39 19.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 53.25 41.15 32.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.472 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 2.9 mpp_? . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.715 ' HB2' HD11 ' A' ' 25' ' ' LEU . . . -130.8 6.16 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.523 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -80.33 -50.02 1.15 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.039 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.792 ' O ' HD11 ' A' ' 9' ' ' LEU . 18.3 Cg_endo -75.02 -34.12 4.04 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.521 1.8 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 1.3 mttt -85.6 -34.73 21.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -40.71 -54.02 3.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.489 ' HE1' HD13 ' A' ' 6' ' ' LEU . 57.2 t80 -44.8 -35.91 2.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 110.947 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.852 ' HB2' HD13 ' A' ' 9' ' ' LEU . 16.6 tp -82.8 -31.89 27.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.719 HD12 HD13 ' A' ' 29' ' ' ILE . 2.6 mm? -72.48 -33.17 66.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -63.99 -41.4 97.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.639 ' HD3' HD11 ' A' ' 6' ' ' LEU . 0.8 OUTLIER -63.51 -36.29 83.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 110.332 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.8 -31.85 66.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.419 HG21 ' HB ' ' A' ' 29' ' ' ILE . 53.8 t -81.4 -39.39 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -57.25 12.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 111.034 -179.99 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.46 -57.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 -179.929 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -31.65 72.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tp -66.19 -22.88 66.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.639 HD11 ' HD3' ' A' ' 49' ' ' ARG . 26.1 tp -69.53 -26.29 64.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.33 -62.55 1.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -32.81 41.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.852 HD13 ' HB2' ' A' ' 46' ' ' LEU . 6.0 mt -68.27 -34.5 76.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.371 1.044 . . . . 0.0 109.368 179.927 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.592 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -74.48 -52.81 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.578 ' N ' HD13 ' A' ' 10' ' ' LEU . 50.4 mtp180 -53.98 -55.45 27.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.232 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -50.65 -26.27 5.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.419 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 1.7 t -95.11 -23.5 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -75.19 -44.66 45.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -59.86 -18.96 48.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.419 ' NE ' ' HA ' ' A' ' 13' ' ' SER . 24.7 ptt180 -118.44 51.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.72 -20.97 4.47 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.6 -54.81 1.75 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.21 -118.88 1.06 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mp 57.21 25.77 11.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.358 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 21' ' ' ILE . 19.1 mm -150.67 -45.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 21' ' ' ILE . 11.7 t -36.86 -72.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -122.14 21.05 10.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.4 t -85.24 -82.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.95 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.715 HD11 ' HB2' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -77.78 -14.11 59.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.478 ' HA2' ' CD1' ' A' ' 29' ' ' ILE . . . -78.91 4.62 60.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.558 1.161 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.9 -32.18 73.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.62 65.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.719 HD13 HD12 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -80.72 -52.17 0.92 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -74.98 -2.53 12.65 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -95.88 19.3 11.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.225 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.5 m 60.73 35.39 19.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 53.25 41.15 32.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.472 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 2.9 mpp_? . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.715 ' HB2' HD11 ' A' ' 25' ' ' LEU . . . -130.8 6.16 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.523 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -80.33 -50.02 1.15 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.039 -179.968 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.792 ' O ' HD11 ' A' ' 9' ' ' LEU . 18.3 Cg_endo -75.02 -34.12 4.04 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.521 1.8 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 1.3 mttt -85.6 -34.73 21.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -40.71 -54.02 3.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.489 ' HE1' HD13 ' A' ' 6' ' ' LEU . 57.2 t80 -44.8 -35.91 2.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 110.947 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.852 ' HB2' HD13 ' A' ' 9' ' ' LEU . 16.6 tp -82.8 -31.89 27.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.719 HD12 HD13 ' A' ' 29' ' ' ILE . 2.6 mm? -72.48 -33.17 66.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -63.99 -41.4 97.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.639 ' HD3' HD11 ' A' ' 6' ' ' LEU . 0.8 OUTLIER -63.51 -36.29 83.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 110.332 179.953 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.8 -31.85 66.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.419 HG21 ' HB ' ' A' ' 29' ' ' ILE . 53.8 t -81.4 -39.39 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -57.25 12.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 111.034 -179.99 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.46 -57.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -31.65 72.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tp -66.19 -22.88 66.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.639 HD11 ' HD3' ' A' ' 49' ' ' ARG . 26.1 tp -69.53 -26.29 64.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.33 -62.55 1.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -32.81 41.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.852 HD13 ' HB2' ' A' ' 46' ' ' LEU . 6.0 mt -68.27 -34.5 76.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.371 1.044 . . . . 0.0 109.368 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.592 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -74.48 -52.81 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.578 ' N ' HD13 ' A' ' 10' ' ' LEU . 50.4 mtp180 -53.98 -55.45 27.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.232 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -50.65 -26.27 5.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.419 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 1.7 t -95.11 -23.5 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -75.19 -44.66 45.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -59.86 -18.96 48.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.419 ' NE ' ' HA ' ' A' ' 13' ' ' SER . 24.7 ptt180 -118.44 51.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.72 -20.97 4.47 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.6 -54.81 1.75 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.21 -118.88 1.06 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mp 57.21 25.77 11.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.358 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 21' ' ' ILE . 19.1 mm -150.67 -45.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 21' ' ' ILE . 11.7 t -36.86 -72.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -122.14 21.05 10.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.4 t -85.24 -82.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.95 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.715 HD11 ' HB2' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -77.78 -14.11 59.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.478 ' HA2' ' CD1' ' A' ' 29' ' ' ILE . . . -78.91 4.62 60.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.558 1.161 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.9 -32.18 73.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.62 65.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.719 HD13 HD12 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -80.72 -52.17 0.92 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -74.98 -2.53 12.65 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -95.88 19.3 11.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.225 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.5 m 60.73 35.39 19.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 53.25 41.15 32.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.472 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 2.9 mpp_? . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.715 ' HB2' HD11 ' A' ' 25' ' ' LEU . . . -130.8 6.16 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.523 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -80.33 -50.02 1.15 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.039 -179.968 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.792 ' O ' HD11 ' A' ' 9' ' ' LEU . 18.3 Cg_endo -75.02 -34.12 4.04 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.521 1.8 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 1.3 mttt -85.6 -34.73 21.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -40.71 -54.02 3.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.489 ' HE1' HD13 ' A' ' 6' ' ' LEU . 57.2 t80 -44.8 -35.91 2.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 110.947 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.852 ' HB2' HD13 ' A' ' 9' ' ' LEU . 16.6 tp -82.8 -31.89 27.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.719 HD12 HD13 ' A' ' 29' ' ' ILE . 2.6 mm? -72.48 -33.17 66.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -63.99 -41.4 97.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.639 ' HD3' HD11 ' A' ' 6' ' ' LEU . 0.8 OUTLIER -63.51 -36.29 83.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 110.332 179.953 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.8 -31.85 66.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.419 HG21 ' HB ' ' A' ' 29' ' ' ILE . 53.8 t -81.4 -39.39 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -57.25 12.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 111.034 -179.99 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.46 -57.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -31.65 72.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tp -66.19 -22.88 66.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.639 HD11 ' HD3' ' A' ' 49' ' ' ARG . 26.1 tp -69.53 -26.29 64.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.33 -62.55 1.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -32.81 41.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.852 HD13 ' HB2' ' A' ' 46' ' ' LEU . 6.0 mt -68.27 -34.5 76.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.371 1.044 . . . . 0.0 109.368 179.927 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.592 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -74.48 -52.81 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.578 ' N ' HD13 ' A' ' 10' ' ' LEU . 50.4 mtp180 -53.98 -55.45 27.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.232 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -50.65 -26.27 5.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.419 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 1.7 t -95.11 -23.5 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -75.19 -44.66 45.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -59.86 -18.96 48.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.419 ' NE ' ' HA ' ' A' ' 13' ' ' SER . 24.7 ptt180 -118.44 51.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.72 -20.97 4.47 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.6 -54.81 1.75 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.21 -118.88 1.06 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mp 57.21 25.77 11.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.358 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 21' ' ' ILE . 19.1 mm -150.67 -45.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 21' ' ' ILE . 11.7 t -36.86 -72.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -122.14 21.05 10.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.4 t -85.24 -82.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.95 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.715 HD11 ' HB2' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -77.78 -14.11 59.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.478 ' HA2' ' CD1' ' A' ' 29' ' ' ILE . . . -78.91 4.62 60.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.558 1.161 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.9 -32.18 73.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.62 65.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.719 HD13 HD12 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -80.72 -52.17 0.92 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -74.98 -2.53 12.65 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -95.88 19.3 11.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.225 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.5 m 60.73 35.39 19.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 53.25 41.15 32.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.472 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 2.9 mpp_? . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.715 ' HB2' HD11 ' A' ' 25' ' ' LEU . . . -130.8 6.16 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.523 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -80.33 -50.02 1.15 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.039 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.792 ' O ' HD11 ' A' ' 9' ' ' LEU . 18.3 Cg_endo -75.02 -34.12 4.04 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.521 1.8 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 1.3 mttt -85.6 -34.73 21.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -40.71 -54.02 3.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.489 ' HE1' HD13 ' A' ' 6' ' ' LEU . 57.2 t80 -44.8 -35.91 2.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 110.947 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.852 ' HB2' HD13 ' A' ' 9' ' ' LEU . 16.6 tp -82.8 -31.89 27.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.719 HD12 HD13 ' A' ' 29' ' ' ILE . 2.6 mm? -72.48 -33.17 66.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -63.99 -41.4 97.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.639 ' HD3' HD11 ' A' ' 6' ' ' LEU . 0.8 OUTLIER -63.51 -36.29 83.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 110.332 179.953 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.8 -31.85 66.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.419 HG21 ' HB ' ' A' ' 29' ' ' ILE . 53.8 t -81.4 -39.39 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -57.25 12.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 111.034 -179.99 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.46 -57.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -31.65 72.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tp -66.19 -22.88 66.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.639 HD11 ' HD3' ' A' ' 49' ' ' ARG . 26.1 tp -69.53 -26.29 64.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.33 -62.55 1.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -32.81 41.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.852 HD13 ' HB2' ' A' ' 46' ' ' LEU . 6.0 mt -68.27 -34.5 76.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.371 1.044 . . . . 0.0 109.368 179.927 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.592 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -74.48 -52.81 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.578 ' N ' HD13 ' A' ' 10' ' ' LEU . 50.4 mtp180 -53.98 -55.45 27.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.232 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -50.65 -26.27 5.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.419 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 1.7 t -95.11 -23.5 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -75.19 -44.66 45.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -59.86 -18.96 48.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.419 ' NE ' ' HA ' ' A' ' 13' ' ' SER . 24.7 ptt180 -118.44 51.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.72 -20.97 4.47 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.6 -54.81 1.75 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.21 -118.88 1.06 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mp 57.21 25.77 11.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.358 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 21' ' ' ILE . 19.1 mm -150.67 -45.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 21' ' ' ILE . 11.7 t -36.86 -72.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -122.14 21.05 10.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.4 t -85.24 -82.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.95 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.715 HD11 ' HB2' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -77.78 -14.11 59.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.478 ' HA2' ' CD1' ' A' ' 29' ' ' ILE . . . -78.91 4.62 60.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.558 1.161 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.9 -32.18 73.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.62 65.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.719 HD13 HD12 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -80.72 -52.17 0.92 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -74.98 -2.53 12.65 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -95.88 19.3 11.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.225 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.5 m 60.73 35.39 19.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 53.25 41.15 32.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.472 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 2.9 mpp_? . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.715 ' HB2' HD11 ' A' ' 25' ' ' LEU . . . -130.8 6.16 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.523 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -80.33 -50.02 1.15 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.039 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.792 ' O ' HD11 ' A' ' 9' ' ' LEU . 18.3 Cg_endo -75.02 -34.12 4.04 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.521 1.8 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 1.3 mttt -85.6 -34.73 21.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -40.71 -54.02 3.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.489 ' HE1' HD13 ' A' ' 6' ' ' LEU . 57.2 t80 -44.8 -35.91 2.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 110.947 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.852 ' HB2' HD13 ' A' ' 9' ' ' LEU . 16.6 tp -82.8 -31.89 27.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.719 HD12 HD13 ' A' ' 29' ' ' ILE . 2.6 mm? -72.48 -33.17 66.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -63.99 -41.4 97.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.639 ' HD3' HD11 ' A' ' 6' ' ' LEU . 0.8 OUTLIER -63.51 -36.29 83.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 110.332 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.8 -31.85 66.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.419 HG21 ' HB ' ' A' ' 29' ' ' ILE . 53.8 t -81.4 -39.39 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -57.25 12.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 111.034 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.56 122.68 4.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.989 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.456 ' CB ' ' CZ ' ' A' ' 3' ' ' ARG . 7.7 ttp-105 70.49 -62.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.263 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.442 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -62.41 -20.02 64.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.667 ' O ' HD23 ' A' ' 9' ' ' LEU . 11.0 tp -71.58 -41.72 68.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.54 ' CB ' ' CE1' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -53.16 -23.97 9.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . -63.24 -63.25 1.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -53.71 -30.95 46.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.028 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.667 HD23 ' O ' ' A' ' 5' ' ' LEU . 4.1 mm? -67.15 -36.26 81.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.791 HD13 ' C ' ' A' ' 10' ' ' LEU . 1.2 tm? -85.39 -51.68 6.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.479 ' CD ' ' HA ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -56.39 -25.14 48.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.497 ' CB ' ' O ' ' A' ' 8' ' ' SER . 2.5 tp-100 -84.45 -35.58 22.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.9 m -80.22 -18.6 49.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.979 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.38 -50.31 13.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -56.87 -19.64 18.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -99.48 6.91 45.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.331 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.29 -44.49 3.34 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 147.1 46.6 0.03 OUTLIER Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -124.94 -171.33 13.28 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.505 ' O ' ' CG1' ' A' ' 21' ' ' ILE . 0.6 OUTLIER 54.82 42.08 31.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.763 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.505 ' CG1' ' O ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER 166.84 -31.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.3 p -59.17 -54.94 41.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 27' ' ' ASN . 1.1 tpm_? -110.55 -36.35 5.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.72 -88.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.005 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.637 HD11 ' CB ' ' A' ' 36' ' ' ALA . 0.4 OUTLIER -63.55 -15.37 57.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 109.253 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -82.2 -3.59 90.51 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 23' ' ' ARG . 9.0 t30 -69.58 -17.65 63.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 0.752 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 33' ' ' ALA . 2.3 m -150.82 52.55 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.916 HG22 ' HD3' ' A' ' 30' ' ' PRO . 4.5 tt -75.31 -35.0 1.75 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.093 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.916 ' HD3' HG22 ' A' ' 29' ' ' ILE . 18.3 Cg_endo -74.98 -25.07 12.25 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.452 1.764 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -85.53 10.26 13.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.57 34.12 0.78 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.993 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' SER . . . 63.68 28.16 14.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.02 -27.73 14.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.004 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.68 53.86 2.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.637 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -158.36 -95.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.8 m 72.77 -68.63 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.985 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m -39.91 -57.74 1.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.055 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -132.7 71.54 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.322 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.464 ' HB2' ' CB ' ' A' ' 36' ' ' ALA . . . -121.02 -1.33 9.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.477 ' CB ' ' HD3' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -76.49 -55.0 1.72 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.992 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.477 ' HD3' ' CB ' ' A' ' 41' ' ' SER . 18.2 Cg_endo -75.04 -31.89 5.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.434 1.755 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.571 ' O ' HD23 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -85.37 -23.32 28.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 48' ' ' ASN . . . -57.21 -56.9 22.58 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.54 ' CE1' ' CB ' ' A' ' 6' ' ' LEU . 7.1 t80 -50.78 -36.31 36.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.474 HD23 HG21 ' A' ' 21' ' ' ILE . 8.9 tp -85.19 -20.98 29.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.571 HD23 ' O ' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -84.09 -24.02 30.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 44' ' ' GLY . 31.8 t-20 -79.1 -31.83 44.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -29.68 64.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.524 ' HB3' HD11 ' A' ' 29' ' ' ILE . . . -64.43 -32.66 74.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.5 t -85.06 -28.55 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -64.4 -56.8 11.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.441 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 1.4 p 163.08 -174.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 110.014 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.543 ' HA ' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -38.92 -61.01 0.79 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.436 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -38.95 -39.21 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.282 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.489 ' CD1' HD23 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -62.57 -62.16 1.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.543 HD23 ' HA ' ' A' ' 3' ' ' ARG . 0.3 OUTLIER -48.87 -24.31 1.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . -79.46 -55.16 5.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.404 1.065 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.28 -25.71 67.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.062 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.489 HD23 ' CD1' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -69.23 -32.08 71.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.744 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -78.43 -47.73 16.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.694 ' N ' HD13 ' A' ' 10' ' ' LEU . 15.2 mtp-105 -53.71 -53.48 51.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -54.17 -32.38 55.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.275 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.496 ' OG ' ' CG2' ' A' ' 21' ' ' ILE . 0.7 OUTLIER -79.04 -41.2 29.42 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.52 1.137 . . . . 0.0 110.005 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.07 -49.93 72.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -68.39 -13.65 62.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.319 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -28.32 64.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 79.12 -52.29 4.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.482 1.114 . . . . 0.0 111.088 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.87 -61.09 4.53 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.41 82.15 1.32 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.496 ' O ' HD12 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -90.33 41.35 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.772 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.564 ' CD1' HD23 ' A' ' 46' ' ' LEU . 10.0 tt -158.03 -45.01 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 t -53.77 -24.21 14.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.04 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 27' ' ' ASN . 5.9 ptm180 -123.46 -41.33 2.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.401 ' N ' ' HG3' ' A' ' 23' ' ' ARG . 0.5 OUTLIER -50.13 -92.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.984 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.64 -14.19 57.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.77 -20.95 69.8 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.563 1.164 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 23' ' ' ARG . 32.9 m-20 -89.98 -16.4 29.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.766 . . . . 0.0 109.328 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 33' ' ' ALA . 2.5 m -96.79 -2.12 44.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.027 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.793 ' CG1' HD12 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -64.54 -51.18 61.34 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -75.02 -13.48 21.35 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 111.022 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.0 tttp -87.12 10.98 15.02 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.86 26.61 1.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.979 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.538 ' HB1' ' HB3' ' A' ' 36' ' ' ALA . . . 66.1 27.88 10.4 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 33' ' ' ALA . 18.2 t -39.58 -38.5 0.61 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -117.08 71.67 0.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.366 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.563 ' HA ' ' HB2' ' A' ' 40' ' ' ALA . . . -142.27 84.03 1.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.453 ' O ' ' CB ' ' A' ' 38' ' ' SER . 0.2 OUTLIER -152.93 116.07 4.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.029 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 37' ' ' SER . 1.2 t 82.15 -56.18 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.998 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.461 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -93.94 23.59 4.79 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.428 1.08 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.563 ' HB2' ' HA ' ' A' ' 36' ' ' ALA . . . -132.66 7.43 4.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.331 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.506 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.6 OUTLIER -81.0 -51.71 0.9 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.031 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.2 Cg_endo -74.97 -33.42 4.64 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.537 1.809 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.461 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -85.46 -34.66 21.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -40.06 -61.72 1.64 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.488 ' CE2' ' HB3' ' A' ' 6' ' ' LEU . 2.1 t80 -46.34 -32.47 3.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 0.74 . . . . 0.0 110.97 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.564 HD23 ' CD1' ' A' ' 21' ' ' ILE . 13.3 tp -85.13 -30.84 23.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.793 HD12 ' CG1' ' A' ' 29' ' ' ILE . 2.9 mm? -74.22 -33.85 63.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -66.0 -35.09 79.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -36.89 78.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.62 -29.3 70.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.608 ' CG2' HD12 ' A' ' 29' ' ' ILE . 20.7 t -85.1 -25.34 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -66.57 -49.89 64.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.269 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 m -140.5 118.99 12.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.568 1.167 . . . . 0.0 109.903 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.66 -53.29 3.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.18 -34.02 55.13 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.426 1.079 . . . . 0.0 110.336 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mt -81.29 -28.32 34.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.879 HD12 HD12 ' A' ' 46' ' ' LEU . 9.0 tp -71.81 -27.09 62.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 10' ' ' LEU . . . -72.9 -61.47 1.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.6 t -52.02 -24.54 6.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.974 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.832 ' HB2' HD13 ' A' ' 46' ' ' LEU . 39.7 mt -78.46 -28.64 46.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.794 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -84.35 -52.03 6.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.653 ' N ' HD13 ' A' ' 10' ' ' LEU . 16.5 mtm180 -51.6 -33.72 34.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -74.09 -40.07 62.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.618 1.199 . . . . 0.0 110.265 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.4 p -76.14 -18.53 59.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 110.016 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.6 -46.78 11.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -68.65 -17.81 64.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -67.49 -25.23 65.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 16' ' ' ARG . . . 37.71 55.81 1.71 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.48 1.112 . . . . 0.0 110.965 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.51 45.75 0.83 Allowed Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.13 146.63 48.18 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.03 -56.13 26.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.335 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.777 ' C ' HD12 ' A' ' 21' ' ' ILE . 1.6 pp -69.38 -8.59 10.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.36 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.56 ' N ' HD12 ' A' ' 21' ' ' ILE . 2.3 t -75.82 -29.96 58.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.027 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 27' ' ' ASN . 8.1 ptm180 -118.02 -35.31 3.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.386 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.9 m -72.17 -45.76 59.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.945 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.914 HD13 ' HB3' ' A' ' 32' ' ' SER . 0.2 OUTLIER -76.3 -10.53 59.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.413 ' C ' ' N ' ' A' ' 28' ' ' SER . . . -101.69 -32.32 5.14 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.397 1.06 . . . . 0.0 110.995 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.9 OUTLIER -44.82 -26.9 0.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 0.808 . . . . 0.0 109.248 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.413 ' N ' ' C ' ' A' ' 26' ' ' GLY . 0.2 OUTLIER -159.77 61.13 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 109.955 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.779 ' CG1' HD12 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -40.21 -53.72 5.03 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.4 Cg_endo -74.98 54.26 3.58 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.14 -55.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.914 ' HB3' HD13 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -55.69 -51.19 68.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.054 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.32 -8.5 46.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.4 -7.15 26.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.952 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -155.03 56.97 0.66 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.314 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.747 ' CB ' ' HB3' ' A' ' 40' ' ' ALA . . . -105.52 -74.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 36' ' ' ALA . 79.0 p 54.1 80.63 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.019 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.7 t 177.38 -56.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.029 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.21 30.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.388 1.055 . . . . 0.0 110.344 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.747 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . . . -113.54 4.83 16.35 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.514 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -77.7 -51.13 1.87 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 110.017 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.5 Cg_endo -75.06 -33.32 4.61 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.437 1.756 . . . . 0.0 111.01 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.725 ' HD2' HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -85.57 -30.5 23.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -46.64 -53.92 9.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -43.69 -35.8 1.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 0.746 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.879 HD12 HD12 ' A' ' 6' ' ' LEU . 4.7 tp -76.43 -38.15 55.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.779 HD12 ' CG1' ' A' ' 29' ' ' ILE . 0.7 OUTLIER -59.14 -40.41 85.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.02 -39.32 93.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -19.44 64.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.278 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 47' ' ' LEU . . . -69.94 -35.88 74.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.9 t -85.13 -28.75 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.342 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -61.19 -47.73 84.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.242 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.024 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.643 ' N ' ' CD2' ' A' ' 45' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -160.44 156.91 26.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.033 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -46.4 -65.84 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.338 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.785 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 1.6 mpt_? -50.98 -37.17 43.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.522 ' HG ' ' HB3' ' A' ' 1' ' ' ALA . 0.2 OUTLIER -54.72 -70.0 0.11 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.508 HD12 HD12 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -41.93 -28.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.785 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . -66.49 -62.48 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.495 ' O ' ' CB ' ' A' ' 12' ' ' GLN . 16.9 t -52.21 -32.37 36.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 110.048 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 9' ' ' LEU . 8.6 mt -66.9 -34.94 78.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.76 HD13 ' N ' ' A' ' 11' ' ' ARG . 0.2 OUTLIER -85.41 -50.24 7.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.437 1.086 . . . . 0.0 109.378 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.76 ' N ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -59.16 -24.83 63.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 110.229 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.495 ' CB ' ' O ' ' A' ' 8' ' ' SER . 2.1 tp60 -85.03 -33.99 22.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.8 p -78.74 -41.65 30.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.0 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.92 -36.13 62.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.246 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -81.46 -29.47 33.74 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.382 1.051 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -155.77 -92.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.41 1.069 . . . . 0.0 110.408 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 19' ' ' GLY . . . 66.5 8.55 46.43 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.449 1.093 . . . . 0.0 111.018 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' GLY . . . 37.75 30.48 0.07 OUTLIER Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 17' ' ' GLY . . . 39.65 55.02 2.75 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.61 -64.29 1.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.253 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.53 ' C ' HD12 ' A' ' 21' ' ' ILE . 1.6 pp -66.41 -14.54 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.13 -17.17 16.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.429 1.08 . . . . 0.0 109.941 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -141.1 -45.8 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 110.335 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.6 m -51.55 -94.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 0.0 109.987 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.815 HD11 ' HB3' ' A' ' 36' ' ' ALA . 2.4 mm? -84.88 52.27 2.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.432 ' C ' ' N ' ' A' ' 28' ' ' SER . . . -150.74 -44.28 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.135 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -42.11 -28.35 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.425 0.721 . . . . 0.0 109.343 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.432 ' N ' ' C ' ' A' ' 26' ' ' GLY . 0.5 OUTLIER -161.24 68.14 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.865 HD11 HD12 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -45.57 -49.89 33.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -75.03 55.74 4.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.458 1.768 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.429 ' CB ' ' O ' ' A' ' 30' ' ' PRO . 0.2 OUTLIER 169.07 -61.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.588 1.18 . . . . 0.0 109.201 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.2 -35.41 17.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.006 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.04 -21.28 11.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.229 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.9 m -116.24 24.07 11.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.978 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -158.01 50.05 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.27 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.815 ' HB3' HD11 ' A' ' 25' ' ' LEU . . . -146.42 -100.3 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 75.25 -171.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.005 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 78.36 -64.88 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.029 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -131.78 31.12 4.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 44' ' ' GLY . . . -117.57 0.45 12.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.35 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.513 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.5 OUTLIER -73.08 -51.46 6.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.052 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.1 Cg_endo -75.08 -33.16 4.71 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.5 1.789 . . . . 0.0 110.946 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.519 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -85.21 -25.41 27.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -54.61 -52.6 44.35 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.558 1.161 . . . . 0.0 111.026 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.643 ' CD2' ' N ' ' A' ' 1' ' ' ALA . 5.2 t80 -44.72 -36.6 3.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.606 HD11 ' HB2' ' A' ' 10' ' ' LEU . 2.7 tt -79.2 -34.26 43.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.603 1.189 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.865 HD12 HD11 ' A' ' 29' ' ' ILE . 1.7 mm? -71.11 -40.37 71.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -56.58 -37.57 70.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -68.63 -38.99 80.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 110.221 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.92 -27.62 66.91 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.677 HG22 HG21 ' A' ' 29' ' ' ILE . 11.2 t -77.76 -48.17 24.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.102 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -40.41 -55.15 2.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.534 1.147 . . . . 0.0 111.017 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 45' ' ' PHE . 3.4 m -179.73 114.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.09 . . . . 0.0 110.073 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -139.19 -47.36 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 -55.44 -37.55 67.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.57 1.169 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.519 ' H ' HD23 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -79.8 -24.92 41.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 0.0 109.278 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.553 HD12 ' CE2' ' A' ' 45' ' ' PHE . 4.5 tp -72.13 -26.78 62.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.405 1.065 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.58 -63.19 1.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.138 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.9 m -51.15 -34.38 30.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.057 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.582 HD11 ' O ' ' A' ' 42' ' ' PRO . 26.5 mt -71.12 -33.13 69.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.36 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.588 HD22 ' O ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -74.39 -53.04 10.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.582 ' N ' HD13 ' A' ' 10' ' ' LEU . 14.4 mtp-105 -45.76 -51.19 13.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 -58.28 -34.89 71.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.4 p -75.62 -23.57 56.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.06 -50.95 9.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.095 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.441 ' C ' ' CG ' ' A' ' 16' ' ' ARG . 1.2 pt20 -72.54 -29.61 63.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.406 1.066 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.441 ' CG ' ' C ' ' A' ' 15' ' ' GLN . 0.7 OUTLIER 38.83 85.06 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.34 50.13 4.15 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.411 1.07 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.69 40.59 0.52 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 38.54 81.52 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.27 -65.47 1.01 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 0.733 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.408 HD13 ' N ' ' A' ' 22' ' ' SER . 0.1 OUTLIER -75.72 -5.68 7.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.143 . . . . 0.0 109.33 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.408 ' N ' HD13 ' A' ' 21' ' ' ILE . 0.4 OUTLIER -39.23 -85.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.992 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -142.55 24.3 1.91 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.7 -81.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.972 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' A' ' 35' ' ' ARG . 1.0 OUTLIER -74.94 -12.0 60.25 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.615 1.197 . . . . 0.0 109.258 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.409 ' O ' ' CD ' ' A' ' 30' ' ' PRO . . . -70.87 -4.34 54.16 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.438 1.086 . . . . 0.0 111.004 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.401 ' C ' ' HD2' ' A' ' 30' ' ' PRO . 1.1 m-20 -87.79 -9.8 52.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.562 0.801 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 33' ' ' ALA . 80.2 p -90.61 -47.73 7.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.606 1.191 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.693 HD11 ' HA ' ' A' ' 48' ' ' ASN . 0.8 OUTLIER -40.7 -51.5 6.86 Favored Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.547 1.155 . . . . 0.0 109.324 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.4 Cg_endo -74.99 -26.09 11.27 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.495 1.787 . . . . 0.0 110.97 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 28' ' ' SER . 72.0 mttt -92.36 24.61 3.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 63.29 53.73 2.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.021 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 28' ' ' SER . . . 46.53 29.78 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -38.79 -53.03 1.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.007 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.496 ' O ' ' CD1' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -101.01 91.35 4.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.572 ' HA ' ' HB3' ' A' ' 40' ' ' ALA . . . -142.03 83.98 1.86 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 61.9 p -168.91 -41.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.576 1.172 . . . . 0.0 110.027 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.89 79.62 9.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 59.22 38.8 23.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.572 ' HB3' ' HA ' ' A' ' 36' ' ' ALA . . . -118.51 1.19 11.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.494 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -74.45 -52.37 3.92 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.413 1.071 . . . . 0.0 109.966 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.582 ' O ' HD11 ' A' ' 9' ' ' LEU . 18.4 Cg_endo -74.92 -30.65 7.08 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.389 1.731 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.865 ' CE ' HD23 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -85.2 -32.58 22.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.147 . . . . 0.0 109.36 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 48' ' ' ASN . . . -55.93 -40.54 81.92 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.405 1.066 . . . . 0.0 111.039 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.553 ' CE2' HD12 ' A' ' 6' ' ' LEU . 5.8 t80 -54.04 -31.81 52.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 0.727 . . . . 0.0 110.982 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.581 HD22 ' HB3' ' A' ' 9' ' ' LEU . 11.0 tp -85.34 -33.91 21.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.865 HD23 ' CE ' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -72.71 -31.09 64.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.693 ' HA ' HD11 ' A' ' 29' ' ' ILE . 3.0 t-20 -68.76 -34.36 75.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.73 -31.01 66.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.427 1.08 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.55 -33.38 74.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.528 HG12 ' O ' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -84.98 -28.58 6.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.352 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.98 -51.74 68.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.93 105.8 2.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.978 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.15 -19.16 20.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 110.257 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -84.94 -34.8 22.41 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.536 1.147 . . . . 0.0 110.332 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.633 ' O ' HD23 ' A' ' 9' ' ' LEU . 1.6 mt -81.75 -24.63 35.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.757 ' O ' HD12 ' A' ' 6' ' ' LEU . 5.1 tp -73.3 -24.97 60.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.354 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.6 -58.81 3.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.379 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.481 ' HA ' ' CD ' ' A' ' 11' ' ' ARG . 22.3 t -52.73 -30.85 34.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.021 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.633 HD23 ' O ' ' A' ' 5' ' ' LEU . 2.3 mm? -67.67 -35.75 79.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.633 HD23 ' N ' ' A' ' 11' ' ' ARG . 0.8 OUTLIER -85.38 -50.94 6.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.633 ' N ' HD23 ' A' ' 10' ' ' LEU . 2.4 ptm180 -57.5 -16.74 10.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.292 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.17 -43.61 13.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.14 -29.74 57.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.38 -40.9 94.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -74.6 -9.0 58.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.259 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -138.53 70.86 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.244 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -40.69 -48.19 3.99 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -40.81 -84.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 79.67 119.29 0.32 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.73 -33.68 18.62 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.44 0.729 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.543 HD13 ' HG3' ' A' ' 43' ' ' LYS . 2.4 mt -80.24 -14.25 13.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.98 -16.92 57.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.92 -38.01 3.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 110.247 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.7 m -64.59 -49.39 71.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.595 1.184 . . . . 0.0 110.045 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.711 HD11 ' HB1' ' A' ' 40' ' ' ALA . 6.2 mt -85.07 -21.83 29.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.39 -23.15 68.18 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.563 1.164 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.06 -18.36 13.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.306 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 p 174.69 68.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.966 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.712 HD11 HD13 ' A' ' 47' ' ' LEU . 1.1 mt -50.3 -52.43 54.34 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.3 Cg_endo -75.04 63.47 6.03 Favored 'Trans proline' 0 C--N 1.358 1.072 0 O-C-N 124.533 1.807 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 30' ' ' PRO . 0.2 OUTLIER 164.29 -57.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.447 ' HB3' HD23 ' A' ' 25' ' ' LEU . 58.0 m -62.95 -43.48 98.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.955 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.78 -15.18 52.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.85 34.12 2.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.084 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.15 -44.61 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.435 ' O ' ' CB ' ' A' ' 37' ' ' SER . . . -47.81 -91.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.389 1.056 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 38' ' ' SER . 0.1 OUTLIER 80.46 151.9 0.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 0.0 109.931 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 37' ' ' SER . 0.2 OUTLIER 83.36 -70.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.996 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.406 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 5.3 mtt-85 -85.34 -32.99 22.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.711 ' HB1' HD11 ' A' ' 25' ' ' LEU . . . -93.5 9.32 37.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.591 1.182 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.494 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.4 OUTLIER -77.92 -51.89 1.67 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.3 Cg_endo -75.02 -34.25 3.95 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.494 1.786 . . . . 0.0 110.944 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.543 ' HG3' HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -85.24 -27.05 26.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -48.54 -58.81 7.07 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.464 1.102 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.529 ' HE1' HD13 ' A' ' 6' ' ' LEU . 1.6 t80 -44.24 -33.66 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 0.8 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.522 HD22 ' HB3' ' A' ' 9' ' ' LEU . 36.5 tp -85.16 -33.86 22.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.612 1.195 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.712 HD13 HD11 ' A' ' 29' ' ' ILE . 0.7 OUTLIER -72.09 -24.03 61.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.465 ' O ' HG12 ' A' ' 51' ' ' VAL . 19.1 t-20 -75.82 -39.54 56.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -23.97 64.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.239 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.2 -34.54 75.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.36 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.465 HG12 ' O ' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -84.07 -26.49 7.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -55.24 33.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.9 p -106.46 135.13 48.51 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.459 1.1 . . . . 0.0 109.989 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 75.51 -61.61 0.47 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 110.266 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.514 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 6.6 ttt85 -51.44 -36.02 42.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.411 ' C ' ' N ' ' A' ' 7' ' ' ALA . 0.8 OUTLIER -57.48 -75.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.361 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.526 ' O ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -46.4 -26.01 0.76 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . -70.98 -63.12 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.3 t -61.91 -29.81 70.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.074 . . . . 0.0 110.015 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.8 tp -69.35 -25.91 64.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.892 HD13 ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -83.38 -40.53 19.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.892 ' N ' HD13 ' A' ' 10' ' ' LEU . 5.9 mtp180 -61.3 -49.61 76.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.3 tp60 -59.78 -28.44 67.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 110.253 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -83.8 -55.11 4.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.051 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.56 -34.06 1.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -85.89 -32.88 21.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 13' ' ' SER . 1.7 mpt_? -163.77 -98.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 48.4 22.49 2.51 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' LEU . . . 37.84 84.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.04 69.46 0.13 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 18' ' ' GLY . 0.2 OUTLIER -108.48 -17.85 13.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.77 . . . . 0.0 109.246 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.759 HG23 HD23 ' A' ' 25' ' ' LEU . 4.4 mp -100.3 -20.01 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.85 -20.61 37.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.965 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -111.59 -43.94 3.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.575 1.172 . . . . 0.0 110.31 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.16 -78.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.006 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.759 HD23 HG23 ' A' ' 21' ' ' ILE . 3.8 mm? -58.7 -23.98 60.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.24 -39.4 92.42 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.556 1.16 . . . . 0.0 111.034 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -77.94 -12.85 60.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 0.783 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.08 -13.18 22.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.01 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.666 HD11 ' O ' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -56.01 -51.9 76.86 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -74.98 -12.52 21.56 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.777 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -85.18 9.74 14.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.83 36.32 2.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.995 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 34' ' ' SER . . . 65.72 43.38 3.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 109.244 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.475 ' OG ' ' N ' ' A' ' 35' ' ' ARG . 95.3 p -37.13 -85.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.581 1.175 . . . . 0.0 110.01 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.475 ' N ' ' OG ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -64.84 -78.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.642 ' HA ' HD11 ' A' ' 25' ' ' LEU . . . 40.44 77.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.57 164.43 10.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 110.051 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 77.64 -71.2 0.11 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.168 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -132.51 44.95 2.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 44' ' ' GLY . . . -117.37 -0.3 12.02 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.489 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -72.45 -52.5 6.65 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 0.0 109.949 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.2 Cg_endo -75.01 -33.53 4.49 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.454 1.765 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.555 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -85.48 -22.11 28.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.209 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -55.72 -57.34 19.31 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.589 1.181 . . . . 0.0 111.023 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.48 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 2.2 t80 -48.22 -37.91 17.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.6 tp -84.73 -22.24 29.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.666 ' O ' HD11 ' A' ' 29' ' ' ILE . 0.4 OUTLIER -81.42 -23.75 37.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.474 ' O ' HG12 ' A' ' 51' ' ' VAL . 2.3 t30 -84.97 -26.91 26.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -76.86 -20.1 56.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.432 ' N ' ' HG3' ' A' ' 49' ' ' ARG . . . -73.74 -30.77 63.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.474 HG12 ' O ' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -84.97 -31.14 6.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.417 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 31.4 tp60 -67.09 -55.51 13.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 . . . . . 0 C--N 1.326 -0.428 0 O-C-N 124.402 1.064 . . . . 0.0 111.017 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 2.3 m -96.33 121.35 38.03 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 110.003 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 2' ' ' SER . 0.0 OUTLIER 160.83 -74.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.468 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 1.3 mpt_? -84.81 -15.18 45.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 tp -66.08 -34.2 77.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.259 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.1 tp -64.15 -23.15 67.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . -69.16 -63.59 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.488 ' HA ' ' CD ' ' A' ' 11' ' ' ARG . 3.1 m -55.19 -31.47 61.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.038 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.816 HD11 ' HA ' ' A' ' 43' ' ' LYS . 2.1 mm? -67.43 -34.88 78.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.357 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.735 HD23 ' C ' ' A' ' 10' ' ' LEU . 1.4 tt -85.48 -47.96 9.43 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.475 1.109 . . . . 0.0 109.354 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.488 ' CD ' ' HA ' ' A' ' 8' ' ' SER . 2.0 ptm180 -62.65 -14.6 45.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.422 ' CB ' ' O ' ' A' ' 8' ' ' SER . 1.9 tm0? -85.14 -42.35 14.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.255 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.0 p -76.34 -36.92 57.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.033 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.36 -42.17 86.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.588 1.18 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 16' ' ' ARG . 6.0 pt20 -72.81 -28.36 62.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.384 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER 37.45 41.8 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -48.13 -72.75 0.4 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.575 1.172 . . . . 0.0 111.032 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -93.89 -77.34 1.37 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 152.67 69.64 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.0 tp -71.1 -38.32 72.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.468 HD12 ' HE3' ' A' ' 43' ' ' LYS . 14.4 tt -100.97 5.82 10.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 21' ' ' ILE . 31.3 t -39.1 -73.82 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -155.54 25.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.219 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.12 -85.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.042 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.809 HD13 ' HB2' ' A' ' 32' ' ' SER . 0.3 OUTLIER -77.83 -27.79 50.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.448 ' C ' ' N ' ' A' ' 28' ' ' SER . . . -66.92 -52.98 29.44 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.469 1.105 . . . . 0.0 110.995 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 26' ' ' GLY . 10.1 t30 -40.0 -29.88 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 0.727 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -147.81 62.67 1.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 110.032 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.75 ' CG1' HD22 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -43.87 -50.52 19.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.3 Cg_endo -75.04 -69.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.491 1.784 . . . . 0.0 110.975 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.425 ' CB ' ' OG ' ' A' ' 28' ' ' SER . 0.7 OUTLIER -39.04 -49.01 1.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.809 ' HB2' HD13 ' A' ' 25' ' ' LEU . 13.2 m -67.19 -43.27 82.55 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.48 1.113 . . . . 0.0 110.054 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.65 ' HB2' ' O ' ' A' ' 29' ' ' ILE . . . -59.47 -16.28 23.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.74 -4.79 32.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 109.982 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -163.76 55.32 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.501 ' HB1' HD21 ' A' ' 25' ' ' LEU . . . -124.22 -98.2 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.518 ' H ' ' HB3' ' A' ' 40' ' ' ALA . 0.5 OUTLIER 67.57 -174.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.014 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.55 -62.01 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 110.01 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.6 mtm180 -131.1 19.12 4.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.346 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.518 ' HB3' ' H ' ' A' ' 37' ' ' SER . . . -107.64 -9.28 15.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.537 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -75.13 -49.65 4.05 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.023 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.4 Cg_endo -74.97 -33.05 4.91 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.816 ' HA ' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -85.63 -33.8 21.54 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -43.52 -52.95 6.17 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -44.95 -39.02 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.756 . . . . 0.0 110.988 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.414 ' CB ' HD12 ' A' ' 9' ' ' LEU . 22.5 tp -77.32 -31.94 54.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.805 HD11 ' HB3' ' A' ' 25' ' ' LEU . 10.2 mt -71.6 -45.02 63.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.481 ' O ' HG12 ' A' ' 51' ' ' VAL . 7.9 m-80 -51.03 -39.72 56.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -26.95 57.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.335 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.87 -31.33 66.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.481 HG12 ' O ' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -85.03 -23.04 7.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.89 -54.97 22.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.353 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.478 ' O ' ' CE2' ' A' ' 45' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 m 42.37 71.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.017 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -76.94 -57.97 3.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.586 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 7.4 mtt180 -54.45 -34.21 61.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 tp -58.15 -52.0 67.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.8 tp -41.97 -34.47 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . -60.83 -64.38 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.093 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.501 ' O ' ' CG ' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -53.81 -31.7 50.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.082 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.635 HD21 ' O ' ' A' ' 42' ' ' PRO . 5.1 mp -61.87 -39.0 90.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.757 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -72.61 -50.23 26.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.553 ' N ' HD13 ' A' ' 10' ' ' LEU . 63.9 mtp180 -55.38 -33.52 63.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.275 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.501 ' CG ' ' O ' ' A' ' 8' ' ' SER . 3.3 mm100 -67.54 -42.75 82.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.175 . . . . 0.0 110.351 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.2 p -78.77 -19.81 51.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 109.996 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.46 -50.0 10.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.353 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -63.41 -12.11 28.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.33 77.74 1.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.14 -37.35 79.59 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.67 -59.0 1.38 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.44 -99.84 1.9 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mp 62.25 14.46 6.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.481 HG22 HD21 ' A' ' 47' ' ' LEU . 8.5 mm -135.42 -46.55 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.0 109.245 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.87 -16.67 61.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.372 1.045 . . . . 0.0 109.966 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.15 -33.57 6.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.86 -39.76 34.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.033 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.723 HD21 ' HB1' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -85.09 -11.58 54.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.475 ' HA2' HD12 ' A' ' 29' ' ' ILE . . . -77.33 -11.84 85.13 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.54 -17.92 16.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.482 ' CB ' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -170.17 68.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.739 HD11 ' CD1' ' A' ' 47' ' ' LEU . 1.5 mt -76.94 -50.95 2.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.237 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -75.1 -12.21 21.31 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 0.0 110.967 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.482 ' HB2' ' CB ' ' A' ' 28' ' ' SER . 26.7 mttt -85.2 9.62 14.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.59 32.5 3.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 110.091 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.696 ' HB1' ' HB3' ' A' ' 36' ' ' ALA . . . 58.24 35.41 24.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 p -52.92 -20.33 3.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.017 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.09 57.57 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 110.261 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.723 ' HB1' HD21 ' A' ' 25' ' ' LEU . . . -145.01 -98.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 38' ' ' SER . 0.6 OUTLIER 66.14 171.1 0.23 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.023 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 37' ' ' SER . 0.7 OUTLIER 85.28 -53.62 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.968 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.65 57.56 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.262 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 44' ' ' GLY . . . -119.93 -2.44 10.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.497 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -73.12 -51.84 5.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 109.986 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.635 ' O ' HD21 ' A' ' 9' ' ' LEU . 18.3 Cg_endo -75.02 -33.43 4.56 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.52 1.8 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.55 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -85.24 -24.5 27.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 48' ' ' ASN . . . -53.51 -56.51 19.58 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.403 1.064 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.478 ' CE2' ' O ' ' A' ' 1' ' ' ALA . 0.5 OUTLIER -48.01 -43.11 29.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 0.0 111.013 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.509 HD22 ' O ' ' A' ' 9' ' ' LEU . 13.9 tp -80.11 -21.69 42.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.246 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.739 ' CD1' HD11 ' A' ' 29' ' ' ILE . 1.5 mm? -81.47 -22.99 37.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 44' ' ' GLY . 22.9 t-20 -81.96 -32.8 30.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -25.39 63.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.256 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.99 -42.27 98.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 t -85.29 -22.9 7.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -61.3 -47.37 86.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.975 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.455 ' O ' HD23 ' A' ' 6' ' ' LEU . 24.9 p 39.47 90.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.028 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -93.88 -52.97 4.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.253 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.698 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -83.23 -21.78 33.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.253 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.438 ' C ' ' N ' ' A' ' 7' ' ' ALA . 1.1 mp -62.84 -70.61 0.2 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.455 HD23 ' O ' ' A' ' 2' ' ' SER . 0.7 OUTLIER -40.67 -29.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.369 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.698 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . -60.34 -67.13 0.42 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.525 ' O ' ' CG ' ' A' ' 12' ' ' GLN . 35.7 t -53.98 -38.67 65.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.03 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.593 HD12 HD12 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -63.12 -31.39 72.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.844 HD13 ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -85.76 -47.15 10.01 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.363 179.901 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.844 ' N ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -65.45 -28.24 69.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.366 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.525 ' CG ' ' O ' ' A' ' 8' ' ' SER . 5.7 mm-40 -85.34 -39.59 17.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.454 ' HG ' ' HA ' ' A' ' 10' ' ' LEU . 90.3 p -73.57 -32.17 64.01 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.463 1.102 . . . . 0.0 110.04 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.11 -40.23 95.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -78.18 -25.58 47.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.268 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 38.9 51.56 1.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.249 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -89.64 33.16 4.48 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.541 1.151 . . . . 0.0 111.031 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 119.7 63.48 0.27 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.459 ' O ' ' CB ' ' A' ' 22' ' ' SER . . . -115.79 102.15 1.07 Allowed Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 24' ' ' SER . 1.1 mt -62.2 -59.77 4.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 0.74 . . . . 0.0 109.222 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.572 HD13 ' N ' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -48.6 -24.18 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 1.6 t -54.38 -25.9 27.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.97 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -141.29 -47.28 0.39 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 20' ' ' LEU . 1.9 m -42.8 -49.45 5.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.989 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.731 ' HB3' HD11 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -84.6 -22.81 29.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.52 -11.57 42.13 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 111.05 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -102.39 -13.34 17.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.586 0.815 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.6 ' HB2' HD13 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -93.98 -2.56 52.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.019 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.698 HG13 HD22 ' A' ' 47' ' ' LEU . 1.3 mm -68.58 -49.5 29.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.5 Cg_endo -75.0 -9.77 20.91 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.541 1.811 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -86.31 11.19 12.75 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.434 1.084 . . . . 0.0 109.341 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 72.8 m 66.11 40.07 4.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 35' ' ' ARG . . . 65.03 44.46 3.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -38.67 -30.38 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.968 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -144.87 -79.49 0.18 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.627 1.204 . . . . 0.0 110.274 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.501 ' C ' ' HB3' ' A' ' 40' ' ' ALA . . . 40.37 79.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.612 ' N ' ' HB3' ' A' ' 40' ' ' ALA . 0.5 OUTLIER -163.7 159.35 21.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 110.009 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.432 ' CB ' ' O ' ' A' ' 37' ' ' SER . 0.1 OUTLIER 80.32 -71.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.004 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.41 7.58 20.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.612 ' HB3' ' N ' ' A' ' 37' ' ' SER . . . -100.01 4.86 45.03 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.531 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.5 OUTLIER -77.39 -50.16 2.15 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.046 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.2 Cg_endo -75.01 -33.4 4.6 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.478 1.778 . . . . 0.0 111.049 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.501 ' CD ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -85.67 -32.65 21.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -42.75 -56.98 4.14 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -45.72 -31.84 2.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 0.797 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.593 HD12 HD12 ' A' ' 9' ' ' LEU . 8.1 mt -84.83 -32.93 23.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.731 HD11 ' HB3' ' A' ' 25' ' ' LEU . 7.2 mt -72.63 -37.32 68.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.249 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.569 ' O ' HG12 ' A' ' 51' ' ' VAL . 20.8 t-20 -59.74 -38.03 80.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.13 -25.99 58.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.8 -30.71 68.31 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.569 HG12 ' O ' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -85.09 -28.11 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.8 tp60 -63.94 -55.98 18.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.356 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 179.955 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.452 ' O ' ' CZ ' ' A' ' 45' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.573 ' O ' ' CE2' ' A' ' 45' ' ' PHE . 52.7 p 55.24 61.66 2.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.967 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.08 -60.34 2.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.478 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 1.5 mtm105 -56.92 -24.47 52.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.419 ' CB ' ' HB2' ' A' ' 2' ' ' SER . 10.6 tp -68.01 -37.82 81.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.54 ' HG ' HD12 ' A' ' 46' ' ' LEU . 1.4 tt -58.07 -24.82 59.99 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.488 1.118 . . . . 0.0 109.357 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . -63.51 -66.83 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.41 ' O ' ' CG ' ' A' ' 12' ' ' GLN . 24.5 t -55.39 -35.82 65.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 0.0 109.978 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.534 ' HB3' HD22 ' A' ' 46' ' ' LEU . 5.9 mt -59.05 -40.3 84.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.604 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -70.6 -52.39 21.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.578 ' N ' HD13 ' A' ' 10' ' ' LEU . 14.8 mtp-105 -52.84 -31.96 41.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 110.333 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.41 ' CG ' ' O ' ' A' ' 8' ' ' SER . 4.0 mm-40 -72.63 -41.37 65.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.3 p -76.26 -32.62 58.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.13 -44.49 79.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 16' ' ' ARG . 5.4 pt20 -76.29 -24.5 54.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' GLN . 0.4 OUTLIER 38.25 73.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.286 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.09 -47.49 11.14 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.57 -65.1 0.26 Allowed Glycine 0 CA--C 1.529 0.964 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.64 61.28 0.01 OUTLIER Glycine 0 CA--C 1.529 0.929 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.517 HD23 ' H ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -64.12 -33.98 77.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 0.748 . . . . 0.0 109.274 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.891 HD12 HD21 ' A' ' 47' ' ' LEU . 28.7 mm -131.49 9.71 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.3 -86.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.31 10.31 11.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.259 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 m -82.14 -94.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.962 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.868 ' O ' HD11 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -84.98 47.93 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.93 -48.73 0.04 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -51.11 -22.44 2.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 0.785 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 32' ' ' SER . 55.5 m -138.9 63.48 1.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.862 HG23 HG22 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -58.69 -45.26 99.65 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.248 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.709 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 18.5 Cg_endo -75.0 -46.41 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.415 1.745 . . . . 0.0 111.028 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.464 ' CB ' ' HB3' ' A' ' 28' ' ' SER . 0.0 OUTLIER -64.64 -61.42 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.35 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 28' ' ' SER . 16.5 m -50.8 -22.26 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.059 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.709 ' HB3' ' O ' ' A' ' 30' ' ' PRO . . . -58.06 -17.09 15.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 53.1 m -78.42 -28.19 46.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.055 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -76.85 -67.65 0.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.354 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 35' ' ' ARG . . . 39.12 65.06 0.72 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.12 -52.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.047 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.48 76.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 59.29 30.46 20.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.352 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 44' ' ' GLY . . . -115.47 0.88 13.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.5 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -72.41 -52.25 6.93 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.1 . . . . 0.0 109.993 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.4 Cg_endo -74.92 -33.98 4.28 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.485 1.781 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.804 ' O ' HD23 ' A' ' 47' ' ' LEU . 1.9 mmtt -85.55 -20.72 29.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -56.53 -57.01 21.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.544 1.153 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.573 ' CE2' ' O ' ' A' ' 2' ' ' SER . 33.4 t80 -44.96 -40.48 6.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 111.007 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.54 HD12 ' HG ' ' A' ' 6' ' ' LEU . 7.6 tp -76.9 -30.64 56.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.891 HD21 HD12 ' A' ' 21' ' ' ILE . 4.0 mm? -71.96 -43.2 65.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -54.26 -41.74 69.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.406 ' NH2' ' OE1' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -61.62 -41.8 97.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.601 ' O ' ' CD1' ' A' ' 53' ' ' TYR . . . -64.45 -50.89 65.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.862 HG22 HG23 ' A' ' 29' ' ' ILE . 17.2 t -46.86 -34.12 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.357 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -44.69 -62.98 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.352 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.7 p -108.46 1.27 21.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -68.9 -18.65 64.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -78.28 -34.3 48.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.283 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.621 HD23 ' N ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -60.4 -68.15 0.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.747 HD23 ' CZ ' ' A' ' 45' ' ' PHE . 1.6 pp -48.04 -33.89 8.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.04 -56.13 14.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 12' ' ' GLN . 53.5 m -54.11 -28.2 37.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.1 mt -70.61 -35.95 73.24 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.433 1.083 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.795 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -85.34 -48.74 8.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.701 ' N ' HD13 ' A' ' 10' ' ' LEU . 2.4 ptm180 -59.36 -27.12 65.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.489 ' CB ' ' O ' ' A' ' 8' ' ' SER . 2.8 tp60 -85.03 -31.5 23.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.2 p -81.68 -20.12 40.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.985 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.41 -39.79 37.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -80.23 2.06 25.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -90.43 16.72 8.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 37.74 62.62 0.96 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 154.48 -55.22 0.42 Allowed Glycine 0 CA--C 1.531 1.061 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.76 136.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.14 -46.46 16.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 0.811 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.542 HD11 HD21 ' A' ' 47' ' ' LEU . 10.2 tp -92.68 9.71 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.8 -51.66 9.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.932 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -164.78 28.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 110.277 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.36 -65.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.03 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.463 HD11 ' HA ' ' A' ' 36' ' ' ALA . 0.3 OUTLIER -81.61 -24.44 36.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.147 . . . . 0.0 109.36 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.75 -17.05 62.22 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.472 1.108 . . . . 0.0 110.975 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.2 -12.03 29.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 33' ' ' ALA . 1.4 m -93.62 -10.45 34.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.991 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.651 HG13 HD13 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -71.65 -53.0 7.74 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.591 1.182 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.4 Cg_endo -74.92 -13.85 21.48 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.524 1.802 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.442 ' CG ' ' HB2' ' A' ' 34' ' ' SER . 15.9 tttt -86.99 12.42 11.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.523 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.4 OUTLIER 67.28 34.16 5.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.46 1.1 . . . . 0.0 110.049 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 32' ' ' SER . . . 72.54 47.39 0.25 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.127 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 33' ' ' ALA . 9.2 t -36.15 -37.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -144.02 -93.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.32 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.463 ' HA ' HD11 ' A' ' 25' ' ' LEU . . . 62.12 100.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.415 1.072 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.39 -57.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.928 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 m -44.72 -69.16 0.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 0.0 109.95 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -134.28 75.83 1.61 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.586 1.179 . . . . 0.0 110.338 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.409 ' O ' ' CA ' ' A' ' 44' ' ' GLY . . . -120.32 -2.98 10.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.465 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -74.76 -53.78 3.05 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.0 Cg_endo -74.96 -32.87 5.09 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.477 1.777 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.551 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -85.44 -24.02 27.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -52.75 -62.04 6.24 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.548 1.155 . . . . 0.0 111.044 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.747 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 1.7 t80 -43.57 -34.92 1.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 0.728 . . . . 0.0 111.018 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.7 tt -84.25 -34.19 23.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.347 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.651 HD13 HG13 ' A' ' 29' ' ' ILE . 0.1 OUTLIER -70.67 -29.88 66.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 44' ' ' GLY . 0.8 OUTLIER -70.44 -37.23 74.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.63 -27.19 64.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 110.336 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.59 ' HA ' ' CD2' ' A' ' 53' ' ' TYR . . . -75.11 -51.94 12.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -61.18 -15.65 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.68 -50.98 11.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.637 ' CD1' ' C ' ' A' ' 53' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.411 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 80.7 p -107.68 175.04 5.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 109.957 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.411 ' CB ' ' O ' ' A' ' 2' ' ' SER . 0.0 OUTLIER 78.24 -60.86 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.255 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.587 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -70.59 -30.65 67.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.27 -68.03 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.594 HD12 HD12 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -45.43 -29.43 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . -65.8 -64.3 0.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.466 ' O ' ' CG ' ' A' ' 12' ' ' GLN . 0.9 OUTLIER -49.76 -31.24 11.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 110.007 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.825 HD12 HD22 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -74.43 -32.95 62.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.727 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -74.59 -41.03 61.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 109.327 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.447 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 29.9 mtp180 -65.87 -21.42 66.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.334 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.466 ' CG ' ' O ' ' A' ' 8' ' ' SER . 9.3 mm-40 -78.18 -43.5 28.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.32 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.1 t -75.53 -30.38 59.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.045 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.6 -44.98 73.18 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 11' ' ' ARG . 4.6 pt20 -74.7 -30.76 61.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 38.79 85.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -118.14 51.06 0.76 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.538 1.149 . . . . 0.0 110.951 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 151.39 -65.63 0.36 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.6 67.04 0.94 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.74 -10.71 20.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.767 . . . . 0.0 109.213 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.473 ' CD1' ' HB3' ' A' ' 43' ' ' LYS . 0.7 OUTLIER -116.0 -1.92 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 109.34 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.0 m -109.37 -22.75 11.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -103.71 -46.79 4.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.61 -72.93 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.975 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.919 HD13 ' OG ' ' A' ' 32' ' ' SER . 1.6 mm? -84.13 48.79 1.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.167 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -137.45 -62.31 0.05 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.554 1.159 . . . . 0.0 111.063 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -52.96 -21.16 4.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 0.785 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.51 ' O ' ' N ' ' A' ' 32' ' ' SER . 62.9 m -145.74 53.23 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 110.044 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.715 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -43.47 -50.08 17.07 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.1 Cg_endo -74.94 -65.66 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.482 1.78 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.31 -58.05 3.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.919 ' OG ' HD13 ' A' ' 25' ' ' LEU . 22.3 p -56.78 -37.43 71.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.996 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 29' ' ' ILE . . . -65.66 -10.99 41.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.259 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -99.14 -7.69 26.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.071 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.99 2.75 5.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.243 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 32' ' ' SER . . . -93.6 -93.43 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.112 . . . . 0.0 109.254 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 38' ' ' SER . 0.1 OUTLIER 67.69 146.65 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.157 . . . . 0.0 109.977 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 37' ' ' SER . 0.1 OUTLIER 78.05 -59.01 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.076 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.48 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 31.1 mtt180 -88.6 -29.64 19.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 110.307 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.408 ' O ' ' HA3' ' A' ' 44' ' ' GLY . . . -94.53 8.85 40.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.547 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.5 OUTLIER -80.05 -49.05 1.29 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 41' ' ' SER . 17.9 Cg_endo -75.15 -34.29 3.81 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.486 1.782 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.532 ' HG2' HD21 ' A' ' 9' ' ' LEU . 3.5 mtpt -85.48 -38.3 18.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -37.35 -53.38 1.71 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.123 . . . . 0.0 111.046 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -44.01 -44.75 7.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 111.026 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.825 HD22 HD12 ' A' ' 9' ' ' LEU . 1.7 tp -73.17 -30.21 63.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.25 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.648 HD13 HG12 ' A' ' 29' ' ' ILE . 10.7 mt -71.85 -46.99 56.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.59 1.181 . . . . 0.0 109.242 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -50.05 -39.5 42.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.417 1.073 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.33 -23.28 43.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.31 -30.39 57.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -85.02 -25.77 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -48.7 68.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.353 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.005 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.19 136.08 13.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 110.035 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 69.72 -60.19 0.48 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 0.0 110.323 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -54.96 -32.63 61.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.342 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.1 tp -66.15 -33.75 76.48 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.578 1.174 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.2 tp -64.69 -26.75 68.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.09 -62.4 1.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.92 -28.64 17.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.979 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.495 ' HB3' HD13 ' A' ' 46' ' ' LEU . 0.4 OUTLIER -69.8 -32.01 70.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.735 HD23 ' N ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -81.45 -46.14 15.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.342 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.735 ' N ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -60.53 -19.21 56.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -85.01 -40.55 16.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.3 t -77.29 -24.33 51.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 110.049 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.38 -39.07 48.59 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 109.238 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -79.85 -4.3 51.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 110.254 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -101.37 -24.21 14.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.265 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.67 -56.22 3.79 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 159.43 50.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -107.59 -50.91 0.78 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.455 HD23 ' N ' ' A' ' 21' ' ' ILE . 1.2 pt? -61.81 -16.8 52.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.763 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.455 ' N ' HD23 ' A' ' 20' ' ' LEU . 14.9 tt -125.27 14.6 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.17 . . . . 0.0 109.249 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.5 t -42.35 -49.31 5.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.974 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.01 37.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.347 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.42 -72.41 0.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.421 1.075 . . . . 0.0 109.991 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.675 HD21 ' HB3' ' A' ' 36' ' ' ALA . 14.5 mt -84.82 -29.13 25.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.38 -22.89 63.91 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -54.54 -20.16 7.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.409 0.711 . . . . 0.0 109.353 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.6 63.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.928 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 1.105 HD11 HD12 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -45.76 -51.31 30.22 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -74.99 54.66 3.71 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.49 1.784 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 32' ' ' SER . 0.3 OUTLIER 175.51 -59.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.433 ' C ' ' N ' ' A' ' 34' ' ' SER . 2.9 m -65.58 -40.62 92.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.173 . . . . 0.0 109.953 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -39.91 -30.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.433 ' N ' ' C ' ' A' ' 32' ' ' SER . 0.2 OUTLIER -71.91 61.61 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 109.954 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? 64.42 68.75 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.265 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.675 ' HB3' HD21 ' A' ' 25' ' ' LEU . . . -72.04 -34.1 68.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 36' ' ' ALA . 1.6 t 85.26 -168.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.997 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.552 ' O ' ' CB ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER 55.68 29.88 14.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.023 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.552 ' CB ' ' O ' ' A' ' 38' ' ' SER . 3.5 tpp85 89.25 75.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.674 ' HB1' HD11 ' A' ' 25' ' ' LEU . . . -132.57 5.67 4.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.508 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -83.78 -51.77 0.61 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.989 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.5 Cg_endo -74.98 -33.09 4.87 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.587 1.835 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.462 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -85.76 -35.79 20.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.598 1.186 . . . . 0.0 109.25 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 48' ' ' ASN . . . -45.65 -43.44 11.32 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.494 1.121 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -54.44 -38.96 66.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 111.087 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.495 HD13 ' HB3' ' A' ' 9' ' ' LEU . 9.7 tp -85.34 -23.08 28.21 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.423 1.077 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 1.105 HD12 HD11 ' A' ' 29' ' ' ILE . 1.1 mm? -80.13 -27.46 39.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 44' ' ' GLY . 1.0 OUTLIER -78.7 -29.74 45.64 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.586 1.179 . . . . 0.0 109.305 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.417 ' HG3' ' N ' ' A' ' 50' ' ' ALA . 1.9 ppt_? -74.45 -21.34 59.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.417 ' N ' ' HG3' ' A' ' 49' ' ' ARG . . . -74.36 -28.59 61.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.595 ' CG2' ' CG2' ' A' ' 29' ' ' ILE . 29.0 t -74.94 -59.95 2.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.566 1.166 . . . . 0.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -44.3 -38.63 4.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.097 . . . . 0.0 110.991 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.434 ' HA ' HD13 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.4 -67.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.957 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.17 -57.7 3.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.592 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 4.3 mtm180 -52.43 -32.35 38.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 1' ' ' ALA . 2.8 tp -56.7 -59.25 5.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.963 HD12 HD12 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -46.52 -35.35 5.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.231 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . -62.76 -63.53 1.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.4 m -58.17 -31.49 67.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.028 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.792 ' HB3' HD22 ' A' ' 46' ' ' LEU . 0.9 OUTLIER -65.72 -32.2 73.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.147 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.667 HD13 ' N ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -78.43 -50.69 11.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 109.269 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.667 ' N ' HD13 ' A' ' 10' ' ' LEU . 15.4 mtp-105 -50.85 -52.25 43.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.251 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -51.6 -39.76 58.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.446 1.091 . . . . 0.0 110.26 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.64 -31.26 59.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 109.99 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.76 -33.96 74.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.51 -51.11 6.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.334 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 56.49 91.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -98.25 -54.4 1.18 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -114.58 -55.39 0.39 Allowed Glycine 0 CA--C 1.531 1.061 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.463 ' O ' HG22 ' A' ' 21' ' ' ILE . . . 135.49 -101.25 0.38 Allowed Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 mp 53.62 22.93 3.28 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.47 0.747 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.463 HG22 ' O ' ' A' ' 19' ' ' GLY . 17.2 tt -143.44 -47.08 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.248 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.78 -19.57 32.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.01 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -93.83 -54.11 3.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.395 1.06 . . . . 0.0 110.248 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.7 m -66.07 -89.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.027 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.641 HD11 ' CB ' ' A' ' 40' ' ' ALA . 2.0 mt -80.52 55.03 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.237 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.2 -46.51 0.05 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.476 1.11 . . . . 0.0 110.943 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -52.5 -21.13 3.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 0.745 . . . . 0.0 109.333 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -166.72 78.21 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.95 ' CD1' HD12 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -63.45 -43.91 80.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.6 Cg_endo -74.98 0.58 8.72 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.504 1.792 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -137.62 16.45 2.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 28' ' ' SER . 1.7 m -111.35 -42.47 3.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 110.088 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.69 -13.73 35.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.584 1.178 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.84 -6.16 43.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.03 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.86 57.21 0.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.085 . . . . 0.0 110.312 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.563 ' HB1' HD11 ' A' ' 25' ' ' LEU . . . -118.15 -99.21 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 38' ' ' SER . 2.8 m 65.17 -176.78 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.016 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 37' ' ' SER . 1.8 t 87.04 -58.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.983 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.93 27.03 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.128 . . . . 0.0 110.273 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.641 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -98.29 0.31 45.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.493 ' CB ' ' HD3' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -68.78 -55.78 10.56 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.04 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.493 ' HD3' ' CB ' ' A' ' 41' ' ' SER . 18.2 Cg_endo -75.01 -28.43 9.16 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.504 1.792 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.885 ' CD ' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -85.08 -23.51 28.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -63.81 -50.02 64.14 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.679 ' HE1' HD13 ' A' ' 6' ' ' LEU . 6.3 t80 -46.08 -32.69 3.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 0.784 . . . . 0.0 111.006 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.963 HD12 HD12 ' A' ' 6' ' ' LEU . 6.6 tp -84.35 -32.74 24.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.95 HD12 ' CD1' ' A' ' 29' ' ' ILE . 1.3 mm? -73.64 -34.16 64.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 44' ' ' GLY . 1.3 m-20 -62.88 -39.66 95.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.23 -38.39 90.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.609 ' O ' ' CD1' ' A' ' 53' ' ' TYR . . . -52.13 -38.33 57.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.496 ' CG2' HG21 ' A' ' 29' ' ' ILE . 85.9 t -84.21 -27.52 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.51 -55.56 32.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.157 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.609 ' CD1' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.519 ' HB3' ' CD2' ' A' ' 45' ' ' PHE . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.65 130.51 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.029 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.02 -49.74 39.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.239 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.88 -39.21 84.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 tp -62.07 -51.55 67.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.908 HD13 ' N ' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -52.22 -45.81 65.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.908 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -56.86 -58.46 8.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.87 -23.48 2.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.944 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.917 ' HB3' HD22 ' A' ' 46' ' ' LEU . 1.1 mm? -81.53 -31.76 32.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.771 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -80.87 -47.95 13.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.365 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.749 ' N ' HD13 ' A' ' 10' ' ' LEU . 21.3 mtm180 -54.74 -50.75 67.62 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.448 1.092 . . . . 0.0 110.285 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -49.17 -43.57 42.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 110.341 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.07 -29.75 60.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.965 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.71 -32.82 73.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.184 . . . . 0.0 109.243 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.35 -51.49 6.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.152 . . . . 0.0 110.335 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.24 -42.04 4.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.413 1.071 . . . . 0.0 110.291 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.4 -52.69 3.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.55 -60.32 5.93 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 79.31 90.86 0.41 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.44 -54.94 5.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 0.746 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.478 ' CG2' HD21 ' A' ' 47' ' ' LEU . 1.3 mp -56.71 -18.64 7.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.5 p -52.89 -57.62 9.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.979 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -102.32 -33.18 9.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.334 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.7 t -53.92 -86.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.966 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.983 HD11 ' CB ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -80.17 54.61 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.44 ' HA2' HD12 ' A' ' 47' ' ' LEU . . . -140.08 -44.47 0.07 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.432 1.082 . . . . 0.0 111.027 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -45.07 -26.52 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 0.792 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 26' ' ' GLY . 12.0 p -112.48 48.89 0.96 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.95 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.563 HD11 HD12 ' A' ' 47' ' ' LEU . 0.6 OUTLIER -77.64 -53.71 1.5 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.4 Cg_endo -74.98 -10.37 21.21 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.508 1.793 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -78.71 2.44 19.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 71.41 33.14 1.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.969 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 54.02 27.41 7.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.2 t -39.45 -34.98 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.002 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.704 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -109.91 64.82 0.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.385 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.983 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . 162.53 107.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.376 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.483 ' O ' ' CB ' ' A' ' 38' ' ' SER . 96.2 p -130.54 134.64 47.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 110.016 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 37' ' ' SER . 1.4 t 84.94 -48.53 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.963 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.48 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -80.54 -26.86 37.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.314 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.559 ' HB2' ' HB1' ' A' ' 36' ' ' ALA . . . -93.6 12.28 25.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.51 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.5 OUTLIER -81.92 -51.39 0.81 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.959 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.2 Cg_endo -75.05 -33.93 4.16 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.777 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.591 ' HG2' HD11 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -85.5 -36.84 20.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -38.07 -56.71 1.78 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.568 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 5.9 t80 -44.84 -38.46 4.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 0.733 . . . . 0.0 111.043 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.917 HD22 ' HB3' ' A' ' 9' ' ' LEU . 55.2 tp -78.98 -31.49 44.91 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.563 HD12 HD11 ' A' ' 29' ' ' ILE . 4.3 mm? -72.48 -36.93 68.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.426 1.079 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.59 -37.12 85.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.595 1.185 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -32.28 71.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.13 -34.98 72.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -85.19 -29.29 6.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -59.91 -48.54 81.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 110.973 -179.949 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.788 ' HB3' ' CE2' ' A' ' 45' ' ' PHE . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.74 118.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.959 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.68 -44.53 85.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -38.68 90.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.587 1.179 . . . . 0.0 110.253 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.543 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -65.57 -55.89 15.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.16 . . . . 0.0 109.284 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.648 HD22 ' CE1' ' A' ' 45' ' ' PHE . 2.4 tp -56.31 -24.96 46.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.39 -55.25 5.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.248 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.99 -25.75 61.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.992 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.758 ' HB3' HD13 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -74.55 -29.72 61.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.773 HD13 ' N ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -79.06 -46.23 18.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.773 ' N ' HD13 ' A' ' 10' ' ' LEU . 68.7 mtp180 -54.03 -37.89 64.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.2 tp60 -69.98 -35.4 74.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.1 t -77.86 -32.11 51.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.1 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.53 -49.43 59.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.424 ' NE2' ' O ' ' A' ' 11' ' ' ARG . 4.9 pt20 -68.79 -14.23 62.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.7 mtt85 -140.58 68.97 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.3 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -40.53 -36.68 1.06 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.541 1.15 . . . . 0.0 111.02 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -47.26 -79.19 0.07 OUTLIER Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 65.23 108.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mt -74.19 -42.58 59.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 0.0 109.352 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.482 HD13 ' N ' ' A' ' 22' ' ' SER . 0.1 OUTLIER -69.86 -10.67 13.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.482 ' N ' HD13 ' A' ' 21' ' ' ILE . 0.5 OUTLIER -67.08 -19.81 65.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.957 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.51 -56.23 1.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.21 -44.3 22.34 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 110.067 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.15 -22.5 28.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.538 ' HA3' HD11 ' A' ' 29' ' ' ILE . . . -82.93 11.08 55.74 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -69.86 -16.92 63.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.424 0.72 . . . . 0.0 109.305 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 m -146.13 60.03 1.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.422 1.076 . . . . 0.0 109.996 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.538 HD11 ' HA3' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -82.16 -52.17 0.74 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.3 Cg_endo -75.01 0.91 8.34 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.533 1.807 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.52 14.09 17.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.589 1.18 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.4 m 67.69 41.87 2.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.057 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.92 ' HB1' ' HB2' ' A' ' 36' ' ' ALA . . . 59.18 39.33 23.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.219 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -38.85 -34.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.007 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.21 73.31 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.92 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . . . -108.27 63.93 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 p -59.1 -174.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.996 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.2 p -63.89 -25.16 68.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.57 7.14 42.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.351 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.481 ' CB ' ' HA ' ' A' ' 36' ' ' ALA . . . -116.41 2.11 13.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.517 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.6 OUTLIER -73.35 -51.26 5.83 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.952 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.4 Cg_endo -74.93 -33.41 4.71 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.589 1.836 . . . . 0.0 111.033 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.566 ' HD2' HD21 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -85.43 -25.32 27.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -55.09 -47.27 74.55 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.788 ' CE2' ' HB3' ' A' ' 1' ' ' ALA . 1.3 t80 -52.36 -41.06 62.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 0.782 . . . . 0.0 110.961 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.758 HD13 ' HB3' ' A' ' 9' ' ' LEU . 0.9 OUTLIER -85.16 -16.03 41.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.404 HD21 HG12 ' A' ' 21' ' ' ILE . 0.5 OUTLIER -85.17 -30.31 24.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' GLY . 2.0 t30 -81.85 -31.87 31.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.544 ' HD3' HD12 ' A' ' 46' ' ' LEU . 4.2 ptm180 -74.86 -11.86 60.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.95 -37.27 40.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.493 HG23 ' CG2' ' A' ' 29' ' ' ILE . 2.3 t -71.52 -58.21 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 53' ' ' TYR . 13.6 pt20 -40.19 -42.64 1.52 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 110.288 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.413 ' N ' ' HG3' ' A' ' 52' ' ' GLN . 1.4 m-30 . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.453 ' N ' ' CD2' ' A' ' 45' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 m -127.07 160.86 29.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.537 1.148 . . . . 0.0 110.003 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -45.84 -68.25 0.21 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.43 1.081 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.55 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -48.4 -38.3 19.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.429 ' C ' ' N ' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -54.09 -77.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.573 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -42.86 -28.33 0.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . -71.24 -57.97 3.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.5 p -60.89 -24.22 65.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.64 -26.8 62.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.386 1.054 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.784 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -84.6 -45.56 12.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.776 ' N ' HD13 ' A' ' 10' ' ' LEU . 57.4 mtp180 -58.36 -36.52 73.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.239 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -72.75 -32.72 65.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 t -78.16 -33.54 50.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 110.055 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.64 -42.92 70.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -75.45 -11.89 60.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.51 1.131 . . . . 0.0 110.333 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -57.42 -33.91 68.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.224 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.88 -52.55 3.97 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.557 1.161 . . . . 0.0 111.02 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.0 -59.67 8.24 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 154.45 -91.6 0.13 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mt 66.75 25.92 9.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 0.805 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 12.1 tt -159.95 -44.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.41 -61.08 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.941 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.3 ptt-85 -157.51 26.68 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.1 m -75.05 -96.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.505 HD11 ' CB ' ' A' ' 32' ' ' SER . 4.2 tp -84.13 7.18 19.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.44 ' C ' ' N ' ' A' ' 28' ' ' SER . . . -86.68 -36.62 9.25 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.553 1.158 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -43.46 -26.9 0.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.44 ' N ' ' C ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -154.24 83.52 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.962 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.714 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -75.63 -39.48 2.97 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.714 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.4 Cg_endo -75.05 -11.32 21.38 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.537 1.809 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.8 -0.7 14.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.505 ' CB ' HD11 ' A' ' 25' ' ' LEU . 55.6 p -89.14 -34.2 16.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.031 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.46 -15.39 26.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.127 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.5 p -91.51 -25.59 19.19 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.565 1.166 . . . . 0.0 109.962 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.416 ' HB2' ' NH1' ' A' ' 35' ' ' ARG . 3.9 ptm85 -119.98 60.35 0.86 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 0.0 110.317 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -175.48 -96.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 26.6 m 63.76 42.71 5.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.041 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.87 -40.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.999 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.36 -31.61 10.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 44' ' ' GLY . . . -93.15 -0.98 56.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.51 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -74.11 -51.62 4.66 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 110.058 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.4 Cg_endo -75.05 -31.95 5.72 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.5 1.789 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.501 ' CD ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -85.56 -32.18 22.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -46.36 -54.1 8.93 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.601 1.188 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.573 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 2.2 t80 -45.01 -33.43 2.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.453 HD23 ' HE2' ' A' ' 43' ' ' LYS . 11.5 tp -82.7 -34.35 27.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.624 HD12 HG21 ' A' ' 29' ' ' ILE . 0.1 OUTLIER -70.4 -37.87 74.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -59.65 -43.95 93.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.155 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -66.6 -26.57 67.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 47' ' ' LEU . . . -62.27 -38.26 88.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 38.3 t -85.11 -26.07 6.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.18 -54.61 34.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.417 1.073 . . . . 0.0 111.047 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.554 ' HB1' ' HE2' ' A' ' 45' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.413 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 10.2 m -96.62 90.99 5.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.964 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.686 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 4.7 mtt85 -44.38 -38.7 4.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.435 1.084 . . . . 0.0 110.291 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -65.34 -41.41 93.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 110.252 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.413 ' HB2' ' CB ' ' A' ' 2' ' ' SER . 3.5 tp -66.82 -59.27 3.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.53 HD11 ' HA ' ' A' ' 3' ' ' ARG . 0.3 OUTLIER -59.55 -17.98 37.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 3' ' ' ARG . . . -77.09 -59.39 2.8 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.508 1.13 . . . . 0.0 109.368 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.6 t -50.7 -30.52 13.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.042 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.15 -28.52 54.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.734 HD23 ' C ' ' A' ' 10' ' ' LEU . 3.3 tt -84.4 -53.63 5.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.503 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 18.6 mtm180 -48.95 -23.03 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -85.21 -40.9 16.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.348 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.7 t -73.67 -26.05 60.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.932 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.74 -31.04 71.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.433 1.083 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 11' ' ' ARG . 0.2 OUTLIER -85.28 -45.63 11.77 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.57 1.169 . . . . 0.0 110.322 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -38.21 -31.39 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.27 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 15' ' ' GLN . . . 77.71 -52.96 3.61 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.478 1.111 . . . . 0.0 110.975 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.24 -64.94 2.77 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.79 110.79 0.09 OUTLIER Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.19 -68.4 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.471 HG22 ' CE ' ' A' ' 43' ' ' LYS . 2.5 pp -52.21 -22.05 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.29 -22.49 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.989 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.2 ptt-85 -146.91 -45.82 0.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 m -43.15 -89.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.615 ' HB3' HD11 ' A' ' 47' ' ' LEU . 0.7 OUTLIER -70.31 -25.22 63.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.71 -23.52 63.21 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.442 1.089 . . . . 0.0 110.995 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -86.39 -15.0 41.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 0.72 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.97 -10.37 36.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 0.0 109.972 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.889 HG13 HD22 ' A' ' 47' ' ' LEU . 0.7 OUTLIER -68.3 -53.31 18.63 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.3 Cg_endo -74.97 -10.46 21.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.78 . . . . 0.0 111.02 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -82.48 6.27 17.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.498 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.5 OUTLIER 69.08 34.88 2.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 32' ' ' SER . . . 71.92 48.04 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -35.03 -57.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.966 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.31 -79.53 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 46.01 80.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.5 OUTLIER -120.93 -149.83 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.469 ' O ' ' CB ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -60.04 82.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.042 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.469 ' CB ' ' O ' ' A' ' 38' ' ' SER . 1.2 mtm-85 160.26 -29.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 110.315 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -93.46 7.17 45.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.5 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.5 OUTLIER -77.58 -51.54 1.86 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.4 Cg_endo -75.0 -32.33 5.46 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.515 1.797 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.471 ' CE ' HG22 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -85.84 -33.37 21.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -44.25 -53.02 6.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.554 ' HE2' ' HB1' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -46.35 -38.43 8.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.774 . . . . 0.0 110.976 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.553 ' N ' ' CD1' ' A' ' 45' ' ' PHE . 12.1 tp -84.92 -23.57 28.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.257 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.889 HD22 HG13 ' A' ' 29' ' ' ILE . 0.2 OUTLIER -76.79 -34.03 57.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -70.44 -36.04 73.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -69.19 -22.23 63.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.35 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.437 ' N ' ' HG3' ' A' ' 49' ' ' ARG . . . -64.52 -38.75 92.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.244 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.6 t -82.93 -32.8 9.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -48.51 -48.16 38.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 110.253 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.463 1.102 . . . . 0.0 110.956 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p -143.02 164.15 30.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.977 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.46 -57.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -31.65 72.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tp -66.19 -22.88 66.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.639 HD11 ' HD3' ' A' ' 49' ' ' ARG . 26.1 tp -69.53 -26.29 64.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.33 -62.55 1.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -32.81 41.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.852 HD13 ' HB2' ' A' ' 46' ' ' LEU . 6.0 mt -68.27 -34.5 76.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.371 1.044 . . . . 0.0 109.368 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.592 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -74.48 -52.81 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.578 ' N ' HD13 ' A' ' 10' ' ' LEU . 50.4 mtp180 -53.98 -55.45 27.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.232 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -50.65 -26.27 5.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.419 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 1.7 t -95.11 -23.5 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -75.19 -44.66 45.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -59.86 -18.96 48.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.419 ' NE ' ' HA ' ' A' ' 13' ' ' SER . 24.7 ptt180 -118.44 51.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.72 -20.97 4.47 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.6 -54.81 1.75 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.21 -118.88 1.06 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mp 57.21 25.77 11.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.358 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 21' ' ' ILE . 19.1 mm -150.67 -45.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 21' ' ' ILE . 11.7 t -36.86 -72.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -122.14 21.05 10.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.4 t -85.24 -82.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.95 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.715 HD11 ' HB2' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -77.78 -14.11 59.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.478 ' HA2' ' CD1' ' A' ' 29' ' ' ILE . . . -78.91 4.62 60.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.558 1.161 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.9 -32.18 73.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.62 65.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.719 HD13 HD12 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -80.72 -52.17 0.92 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -74.98 -2.53 12.65 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -95.88 19.3 11.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.225 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.5 m 60.73 35.39 19.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 53.25 41.15 32.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.96 -15.88 60.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.0 47.88 0.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.374 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -161.27 -98.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.7 m 57.25 63.15 1.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.09 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.4 t 175.01 -41.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 0.0 110.038 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.472 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 2.9 mpp_? -142.97 34.57 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.715 ' HB2' HD11 ' A' ' 25' ' ' LEU . . . -130.8 6.16 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.523 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -80.33 -50.02 1.15 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.039 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.792 ' O ' HD11 ' A' ' 9' ' ' LEU . 18.3 Cg_endo -75.02 -34.12 4.04 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.521 1.8 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 1.3 mttt -85.6 -34.73 21.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -40.71 -54.02 3.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.489 ' HE1' HD13 ' A' ' 6' ' ' LEU . 57.2 t80 -44.8 -35.91 2.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 110.947 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.852 ' HB2' HD13 ' A' ' 9' ' ' LEU . 16.6 tp -82.8 -31.89 27.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.719 HD12 HD13 ' A' ' 29' ' ' ILE . 2.6 mm? -72.48 -33.17 66.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -63.99 -41.4 97.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.639 ' HD3' HD11 ' A' ' 6' ' ' LEU . 0.8 OUTLIER -63.51 -36.29 83.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 110.332 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.8 -31.85 66.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.419 HG21 ' HB ' ' A' ' 29' ' ' ILE . 53.8 t -81.4 -39.39 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -57.25 12.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 111.034 -179.99 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p -143.02 164.15 30.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.977 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.46 -57.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 -179.929 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -31.65 72.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tp -66.19 -22.88 66.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.639 HD11 ' HD3' ' A' ' 49' ' ' ARG . 26.1 tp -69.53 -26.29 64.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.33 -62.55 1.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -32.81 41.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.852 HD13 ' HB2' ' A' ' 46' ' ' LEU . 6.0 mt -68.27 -34.5 76.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.371 1.044 . . . . 0.0 109.368 179.927 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.592 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -74.48 -52.81 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.578 ' N ' HD13 ' A' ' 10' ' ' LEU . 50.4 mtp180 -53.98 -55.45 27.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.232 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -50.65 -26.27 5.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.419 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 1.7 t -95.11 -23.5 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -75.19 -44.66 45.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -59.86 -18.96 48.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.419 ' NE ' ' HA ' ' A' ' 13' ' ' SER . 24.7 ptt180 -118.44 51.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.72 -20.97 4.47 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.6 -54.81 1.75 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.21 -118.88 1.06 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mp 57.21 25.77 11.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.358 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 21' ' ' ILE . 19.1 mm -150.67 -45.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 21' ' ' ILE . 11.7 t -36.86 -72.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -122.14 21.05 10.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.4 t -85.24 -82.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.95 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.715 HD11 ' HB2' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -77.78 -14.11 59.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.478 ' HA2' ' CD1' ' A' ' 29' ' ' ILE . . . -78.91 4.62 60.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.558 1.161 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.9 -32.18 73.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.62 65.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.719 HD13 HD12 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -80.72 -52.17 0.92 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -74.98 -2.53 12.65 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -95.88 19.3 11.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.225 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.5 m 60.73 35.39 19.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 53.25 41.15 32.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.96 -15.88 60.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.0 47.88 0.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.374 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -161.27 -98.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.7 m 57.25 63.15 1.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.09 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.4 t 175.01 -41.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 0.0 110.038 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.472 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 2.9 mpp_? -142.97 34.57 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.715 ' HB2' HD11 ' A' ' 25' ' ' LEU . . . -130.8 6.16 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.523 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -80.33 -50.02 1.15 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.039 -179.968 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.792 ' O ' HD11 ' A' ' 9' ' ' LEU . 18.3 Cg_endo -75.02 -34.12 4.04 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.521 1.8 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 1.3 mttt -85.6 -34.73 21.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -40.71 -54.02 3.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.489 ' HE1' HD13 ' A' ' 6' ' ' LEU . 57.2 t80 -44.8 -35.91 2.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 110.947 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.852 ' HB2' HD13 ' A' ' 9' ' ' LEU . 16.6 tp -82.8 -31.89 27.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.719 HD12 HD13 ' A' ' 29' ' ' ILE . 2.6 mm? -72.48 -33.17 66.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -63.99 -41.4 97.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.639 ' HD3' HD11 ' A' ' 6' ' ' LEU . 0.8 OUTLIER -63.51 -36.29 83.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 110.332 179.953 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.8 -31.85 66.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.419 HG21 ' HB ' ' A' ' 29' ' ' ILE . 53.8 t -81.4 -39.39 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -57.25 12.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 111.034 -179.99 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p -143.02 164.15 30.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.977 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.46 -57.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -31.65 72.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tp -66.19 -22.88 66.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.639 HD11 ' HD3' ' A' ' 49' ' ' ARG . 26.1 tp -69.53 -26.29 64.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.33 -62.55 1.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -32.81 41.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.852 HD13 ' HB2' ' A' ' 46' ' ' LEU . 6.0 mt -68.27 -34.5 76.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.371 1.044 . . . . 0.0 109.368 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.592 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -74.48 -52.81 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.578 ' N ' HD13 ' A' ' 10' ' ' LEU . 50.4 mtp180 -53.98 -55.45 27.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.232 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -50.65 -26.27 5.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.419 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 1.7 t -95.11 -23.5 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -75.19 -44.66 45.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -59.86 -18.96 48.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.419 ' NE ' ' HA ' ' A' ' 13' ' ' SER . 24.7 ptt180 -118.44 51.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.72 -20.97 4.47 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.6 -54.81 1.75 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.21 -118.88 1.06 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mp 57.21 25.77 11.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.358 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 21' ' ' ILE . 19.1 mm -150.67 -45.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 21' ' ' ILE . 11.7 t -36.86 -72.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -122.14 21.05 10.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.4 t -85.24 -82.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.95 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.715 HD11 ' HB2' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -77.78 -14.11 59.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.478 ' HA2' ' CD1' ' A' ' 29' ' ' ILE . . . -78.91 4.62 60.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.558 1.161 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.9 -32.18 73.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.62 65.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.719 HD13 HD12 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -80.72 -52.17 0.92 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -74.98 -2.53 12.65 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -95.88 19.3 11.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.225 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.5 m 60.73 35.39 19.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 53.25 41.15 32.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.96 -15.88 60.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.0 47.88 0.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.374 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -161.27 -98.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.7 m 57.25 63.15 1.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.09 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.4 t 175.01 -41.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 0.0 110.038 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.472 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 2.9 mpp_? -142.97 34.57 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.715 ' HB2' HD11 ' A' ' 25' ' ' LEU . . . -130.8 6.16 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.523 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -80.33 -50.02 1.15 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.039 -179.968 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.792 ' O ' HD11 ' A' ' 9' ' ' LEU . 18.3 Cg_endo -75.02 -34.12 4.04 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.521 1.8 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 1.3 mttt -85.6 -34.73 21.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -40.71 -54.02 3.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.489 ' HE1' HD13 ' A' ' 6' ' ' LEU . 57.2 t80 -44.8 -35.91 2.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 110.947 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.852 ' HB2' HD13 ' A' ' 9' ' ' LEU . 16.6 tp -82.8 -31.89 27.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.719 HD12 HD13 ' A' ' 29' ' ' ILE . 2.6 mm? -72.48 -33.17 66.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -63.99 -41.4 97.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.639 ' HD3' HD11 ' A' ' 6' ' ' LEU . 0.8 OUTLIER -63.51 -36.29 83.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 110.332 179.953 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.8 -31.85 66.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.419 HG21 ' HB ' ' A' ' 29' ' ' ILE . 53.8 t -81.4 -39.39 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -57.25 12.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 111.034 -179.99 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p -143.02 164.15 30.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.977 -179.943 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.46 -57.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -31.65 72.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tp -66.19 -22.88 66.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.639 HD11 ' HD3' ' A' ' 49' ' ' ARG . 26.1 tp -69.53 -26.29 64.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.33 -62.55 1.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -32.81 41.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.852 HD13 ' HB2' ' A' ' 46' ' ' LEU . 6.0 mt -68.27 -34.5 76.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.371 1.044 . . . . 0.0 109.368 179.927 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.592 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -74.48 -52.81 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.578 ' N ' HD13 ' A' ' 10' ' ' LEU . 50.4 mtp180 -53.98 -55.45 27.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.232 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -50.65 -26.27 5.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.419 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 1.7 t -95.11 -23.5 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -75.19 -44.66 45.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -59.86 -18.96 48.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.419 ' NE ' ' HA ' ' A' ' 13' ' ' SER . 24.7 ptt180 -118.44 51.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.72 -20.97 4.47 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.6 -54.81 1.75 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.21 -118.88 1.06 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mp 57.21 25.77 11.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.358 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 21' ' ' ILE . 19.1 mm -150.67 -45.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 21' ' ' ILE . 11.7 t -36.86 -72.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -122.14 21.05 10.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.4 t -85.24 -82.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.95 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.715 HD11 ' HB2' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -77.78 -14.11 59.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.478 ' HA2' ' CD1' ' A' ' 29' ' ' ILE . . . -78.91 4.62 60.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.558 1.161 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.9 -32.18 73.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.62 65.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.719 HD13 HD12 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -80.72 -52.17 0.92 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -74.98 -2.53 12.65 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -95.88 19.3 11.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.225 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.5 m 60.73 35.39 19.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 53.25 41.15 32.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.96 -15.88 60.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.0 47.88 0.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.374 179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -161.27 -98.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.7 m 57.25 63.15 1.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.09 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.4 t 175.01 -41.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 0.0 110.038 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.472 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 2.9 mpp_? -142.97 34.57 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.715 ' HB2' HD11 ' A' ' 25' ' ' LEU . . . -130.8 6.16 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.523 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -80.33 -50.02 1.15 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.039 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.792 ' O ' HD11 ' A' ' 9' ' ' LEU . 18.3 Cg_endo -75.02 -34.12 4.04 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.521 1.8 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 1.3 mttt -85.6 -34.73 21.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -40.71 -54.02 3.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.489 ' HE1' HD13 ' A' ' 6' ' ' LEU . 57.2 t80 -44.8 -35.91 2.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 110.947 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.852 ' HB2' HD13 ' A' ' 9' ' ' LEU . 16.6 tp -82.8 -31.89 27.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.719 HD12 HD13 ' A' ' 29' ' ' ILE . 2.6 mm? -72.48 -33.17 66.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -63.99 -41.4 97.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.639 ' HD3' HD11 ' A' ' 6' ' ' LEU . 0.8 OUTLIER -63.51 -36.29 83.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 110.332 179.953 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.8 -31.85 66.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.419 HG21 ' HB ' ' A' ' 29' ' ' ILE . 53.8 t -81.4 -39.39 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -57.25 12.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 111.034 -179.99 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p -143.02 164.15 30.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.977 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.46 -57.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -31.65 72.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tp -66.19 -22.88 66.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.639 HD11 ' HD3' ' A' ' 49' ' ' ARG . 26.1 tp -69.53 -26.29 64.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.33 -62.55 1.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -32.81 41.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.852 HD13 ' HB2' ' A' ' 46' ' ' LEU . 6.0 mt -68.27 -34.5 76.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.371 1.044 . . . . 0.0 109.368 179.927 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.592 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -74.48 -52.81 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.578 ' N ' HD13 ' A' ' 10' ' ' LEU . 50.4 mtp180 -53.98 -55.45 27.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.232 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -50.65 -26.27 5.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.419 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 1.7 t -95.11 -23.5 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -75.19 -44.66 45.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -59.86 -18.96 48.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.419 ' NE ' ' HA ' ' A' ' 13' ' ' SER . 24.7 ptt180 -118.44 51.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.72 -20.97 4.47 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.6 -54.81 1.75 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.21 -118.88 1.06 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mp 57.21 25.77 11.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.358 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 21' ' ' ILE . 19.1 mm -150.67 -45.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 21' ' ' ILE . 11.7 t -36.86 -72.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -122.14 21.05 10.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.4 t -85.24 -82.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.95 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.715 HD11 ' HB2' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -77.78 -14.11 59.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.478 ' HA2' ' CD1' ' A' ' 29' ' ' ILE . . . -78.91 4.62 60.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.558 1.161 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.9 -32.18 73.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.62 65.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.719 HD13 HD12 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -80.72 -52.17 0.92 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -74.98 -2.53 12.65 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -95.88 19.3 11.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.225 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.5 m 60.73 35.39 19.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 53.25 41.15 32.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.96 -15.88 60.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.0 47.88 0.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.374 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -161.27 -98.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.7 m 57.25 63.15 1.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.09 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.4 t 175.01 -41.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 0.0 110.038 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.472 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 2.9 mpp_? -142.97 34.57 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.715 ' HB2' HD11 ' A' ' 25' ' ' LEU . . . -130.8 6.16 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.523 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -80.33 -50.02 1.15 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.039 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.792 ' O ' HD11 ' A' ' 9' ' ' LEU . 18.3 Cg_endo -75.02 -34.12 4.04 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.521 1.8 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 1.3 mttt -85.6 -34.73 21.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -40.71 -54.02 3.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.489 ' HE1' HD13 ' A' ' 6' ' ' LEU . 57.2 t80 -44.8 -35.91 2.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 110.947 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.852 ' HB2' HD13 ' A' ' 9' ' ' LEU . 16.6 tp -82.8 -31.89 27.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.719 HD12 HD13 ' A' ' 29' ' ' ILE . 2.6 mm? -72.48 -33.17 66.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -63.99 -41.4 97.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.639 ' HD3' HD11 ' A' ' 6' ' ' LEU . 0.8 OUTLIER -63.51 -36.29 83.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 110.332 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.8 -31.85 66.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.419 HG21 ' HB ' ' A' ' 29' ' ' ILE . 53.8 t -81.4 -39.39 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -57.25 12.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 111.034 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.456 ' CB ' ' CZ ' ' A' ' 3' ' ' ARG . 7.7 ttp-105 70.49 -62.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.263 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.442 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -62.41 -20.02 64.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.667 ' O ' HD23 ' A' ' 9' ' ' LEU . 11.0 tp -71.58 -41.72 68.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.54 ' CB ' ' CE1' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -53.16 -23.97 9.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . -63.24 -63.25 1.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -53.71 -30.95 46.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.028 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.667 HD23 ' O ' ' A' ' 5' ' ' LEU . 4.1 mm? -67.15 -36.26 81.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.791 HD13 ' C ' ' A' ' 10' ' ' LEU . 1.2 tm? -85.39 -51.68 6.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.479 ' CD ' ' HA ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -56.39 -25.14 48.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.497 ' CB ' ' O ' ' A' ' 8' ' ' SER . 2.5 tp-100 -84.45 -35.58 22.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.9 m -80.22 -18.6 49.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.979 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.38 -50.31 13.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -56.87 -19.64 18.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -99.48 6.91 45.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.331 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.29 -44.49 3.34 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 147.1 46.6 0.03 OUTLIER Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -124.94 -171.33 13.28 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.505 ' O ' ' CG1' ' A' ' 21' ' ' ILE . 0.6 OUTLIER 54.82 42.08 31.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.763 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.505 ' CG1' ' O ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER 166.84 -31.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.3 p -59.17 -54.94 41.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 27' ' ' ASN . 1.1 tpm_? -110.55 -36.35 5.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.72 -88.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.005 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -63.55 -15.37 57.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 109.253 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -82.2 -3.59 90.51 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 23' ' ' ARG . 9.0 t30 -69.58 -17.65 63.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 0.752 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 33' ' ' ALA . 2.3 m -150.82 52.55 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.916 HG22 ' HD3' ' A' ' 30' ' ' PRO . 4.5 tt -75.31 -35.0 1.75 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.093 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.916 ' HD3' HG22 ' A' ' 29' ' ' ILE . 18.3 Cg_endo -74.98 -25.07 12.25 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.452 1.764 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -85.53 10.26 13.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.57 34.12 0.78 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.993 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' SER . . . 63.68 28.16 14.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.004 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.02 -1.33 9.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.477 ' CB ' ' HD3' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -76.49 -55.0 1.72 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.992 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.477 ' HD3' ' CB ' ' A' ' 41' ' ' SER . 18.2 Cg_endo -75.04 -31.89 5.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.434 1.755 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.571 ' O ' HD23 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -85.37 -23.32 28.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 48' ' ' ASN . . . -57.21 -56.9 22.58 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.54 ' CE1' ' CB ' ' A' ' 6' ' ' LEU . 7.1 t80 -50.78 -36.31 36.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.474 HD23 HG21 ' A' ' 21' ' ' ILE . 8.9 tp -85.19 -20.98 29.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.571 HD23 ' O ' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -84.09 -24.02 30.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 44' ' ' GLY . 31.8 t-20 -79.1 -31.83 44.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -29.68 64.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.524 ' HB3' HD11 ' A' ' 29' ' ' ILE . . . -64.43 -32.66 74.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.5 t -85.06 -28.55 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -64.4 -56.8 11.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 5' ' ' LEU . 1.4 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.543 ' HA ' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -38.92 -61.01 0.79 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.436 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -38.95 -39.21 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.282 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.489 ' CD1' HD23 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -62.57 -62.16 1.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.543 HD23 ' HA ' ' A' ' 3' ' ' ARG . 0.3 OUTLIER -48.87 -24.31 1.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . -79.46 -55.16 5.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.404 1.065 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.28 -25.71 67.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.062 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.489 HD23 ' CD1' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -69.23 -32.08 71.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.744 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -78.43 -47.73 16.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.694 ' N ' HD13 ' A' ' 10' ' ' LEU . 15.2 mtp-105 -53.71 -53.48 51.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -54.17 -32.38 55.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.275 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.496 ' OG ' ' CG2' ' A' ' 21' ' ' ILE . 0.7 OUTLIER -79.04 -41.2 29.42 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.52 1.137 . . . . 0.0 110.005 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.07 -49.93 72.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -68.39 -13.65 62.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.319 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -28.32 64.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 79.12 -52.29 4.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.482 1.114 . . . . 0.0 111.088 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.87 -61.09 4.53 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.41 82.15 1.32 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.496 ' O ' HD12 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -90.33 41.35 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.772 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.564 ' CD1' HD23 ' A' ' 46' ' ' LEU . 10.0 tt -158.03 -45.01 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 t -53.77 -24.21 14.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.04 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 27' ' ' ASN . 5.9 ptm180 -123.46 -41.33 2.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.401 ' N ' ' HG3' ' A' ' 23' ' ' ARG . 0.5 OUTLIER -50.13 -92.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.984 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.64 -14.19 57.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.77 -20.95 69.8 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.563 1.164 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 23' ' ' ARG . 32.9 m-20 -89.98 -16.4 29.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.766 . . . . 0.0 109.328 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 33' ' ' ALA . 2.5 m -96.79 -2.12 44.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.027 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.793 ' CG1' HD12 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -64.54 -51.18 61.34 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -75.02 -13.48 21.35 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 111.022 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.0 tttp -87.12 10.98 15.02 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.86 26.61 1.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.979 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 28' ' ' SER . . . 66.1 27.88 10.4 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 33' ' ' ALA . 18.2 t . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.461 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -132.66 7.43 4.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.331 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.506 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.6 OUTLIER -81.0 -51.71 0.9 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.031 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.2 Cg_endo -74.97 -33.42 4.64 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.537 1.809 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.461 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -85.46 -34.66 21.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -40.06 -61.72 1.64 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.488 ' CE2' ' HB3' ' A' ' 6' ' ' LEU . 2.1 t80 -46.34 -32.47 3.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 0.74 . . . . 0.0 110.97 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.564 HD23 ' CD1' ' A' ' 21' ' ' ILE . 13.3 tp -85.13 -30.84 23.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.793 HD12 ' CG1' ' A' ' 29' ' ' ILE . 2.9 mm? -74.22 -33.85 63.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -66.0 -35.09 79.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -36.89 78.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.62 -29.3 70.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.608 ' CG2' HD12 ' A' ' 29' ' ' ILE . 20.7 t -85.1 -25.34 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -66.57 -49.89 64.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.269 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.66 -53.29 3.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.18 -34.02 55.13 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.426 1.079 . . . . 0.0 110.336 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mt -81.29 -28.32 34.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.879 HD12 HD12 ' A' ' 46' ' ' LEU . 9.0 tp -71.81 -27.09 62.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 10' ' ' LEU . . . -72.9 -61.47 1.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.6 t -52.02 -24.54 6.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.974 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.832 ' HB2' HD13 ' A' ' 46' ' ' LEU . 39.7 mt -78.46 -28.64 46.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.794 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -84.35 -52.03 6.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.653 ' N ' HD13 ' A' ' 10' ' ' LEU . 16.5 mtm180 -51.6 -33.72 34.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -74.09 -40.07 62.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.618 1.199 . . . . 0.0 110.265 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.4 p -76.14 -18.53 59.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 110.016 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.6 -46.78 11.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -68.65 -17.81 64.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -67.49 -25.23 65.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 16' ' ' ARG . . . 37.71 55.81 1.71 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.48 1.112 . . . . 0.0 110.965 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.51 45.75 0.83 Allowed Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.13 146.63 48.18 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.03 -56.13 26.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.335 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.777 ' C ' HD12 ' A' ' 21' ' ' ILE . 1.6 pp -69.38 -8.59 10.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.36 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.56 ' N ' HD12 ' A' ' 21' ' ' ILE . 2.3 t -75.82 -29.96 58.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.027 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 27' ' ' ASN . 8.1 ptm180 -118.02 -35.31 3.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.386 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.9 m -72.17 -45.76 59.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.945 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.914 HD13 ' HB3' ' A' ' 32' ' ' SER . 0.2 OUTLIER -76.3 -10.53 59.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.413 ' C ' ' N ' ' A' ' 28' ' ' SER . . . -101.69 -32.32 5.14 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.397 1.06 . . . . 0.0 110.995 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 23' ' ' ARG . 1.4 m120 -44.82 -26.9 0.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 0.808 . . . . 0.0 109.248 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.413 ' N ' ' C ' ' A' ' 26' ' ' GLY . 0.2 OUTLIER -159.77 61.13 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 109.955 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.779 ' CG1' HD12 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -40.21 -53.72 5.03 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.4 Cg_endo -74.98 54.26 3.58 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.14 -55.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.914 ' HB3' HD13 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -55.69 -51.19 68.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.054 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.32 -8.5 46.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.952 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -113.54 4.83 16.35 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.514 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -77.7 -51.13 1.87 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 110.017 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.5 Cg_endo -75.06 -33.32 4.61 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.437 1.756 . . . . 0.0 111.01 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.725 ' HD2' HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -85.57 -30.5 23.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -46.64 -53.92 9.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -43.69 -35.8 1.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 0.746 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.879 HD12 HD12 ' A' ' 6' ' ' LEU . 4.7 tp -76.43 -38.15 55.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.779 HD12 ' CG1' ' A' ' 29' ' ' ILE . 0.7 OUTLIER -59.14 -40.41 85.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.02 -39.32 93.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -19.44 64.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.278 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 47' ' ' LEU . . . -69.94 -35.88 74.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.9 t -85.13 -28.75 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.342 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -61.19 -47.73 84.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.242 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.024 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -46.4 -65.84 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.338 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.785 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 1.6 mpt_? -50.98 -37.17 43.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.417 ' C ' ' N ' ' A' ' 7' ' ' ALA . 0.2 OUTLIER -54.72 -70.0 0.11 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.508 HD12 HD12 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -41.93 -28.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.785 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . -66.49 -62.48 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.495 ' O ' ' CB ' ' A' ' 12' ' ' GLN . 16.9 t -52.21 -32.37 36.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 110.048 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 9' ' ' LEU . 8.6 mt -66.9 -34.94 78.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.76 HD13 ' N ' ' A' ' 11' ' ' ARG . 0.2 OUTLIER -85.41 -50.24 7.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.437 1.086 . . . . 0.0 109.378 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.76 ' N ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -59.16 -24.83 63.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 110.229 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.495 ' CB ' ' O ' ' A' ' 8' ' ' SER . 2.1 tp60 -85.03 -33.99 22.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.8 p -78.74 -41.65 30.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.0 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.92 -36.13 62.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.246 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -81.46 -29.47 33.74 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.382 1.051 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -155.77 -92.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.41 1.069 . . . . 0.0 110.408 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 19' ' ' GLY . . . 66.5 8.55 46.43 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.449 1.093 . . . . 0.0 111.018 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' GLY . . . 37.75 30.48 0.07 OUTLIER Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 17' ' ' GLY . . . 39.65 55.02 2.75 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.61 -64.29 1.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.253 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.53 ' C ' HD12 ' A' ' 21' ' ' ILE . 1.6 pp -66.41 -14.54 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.13 -17.17 16.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.429 1.08 . . . . 0.0 109.941 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -141.1 -45.8 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 110.335 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.6 m -51.55 -94.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 0.0 109.987 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.41 HD22 ' N ' ' A' ' 25' ' ' LEU . 2.4 mm? -84.88 52.27 2.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.432 ' C ' ' N ' ' A' ' 28' ' ' SER . . . -150.74 -44.28 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.135 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -42.11 -28.35 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.425 0.721 . . . . 0.0 109.343 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.432 ' N ' ' C ' ' A' ' 26' ' ' GLY . 0.5 OUTLIER -161.24 68.14 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.865 HD11 HD12 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -45.57 -49.89 33.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -75.03 55.74 4.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.458 1.768 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.429 ' CB ' ' O ' ' A' ' 30' ' ' PRO . 0.2 OUTLIER 169.07 -61.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.588 1.18 . . . . 0.0 109.201 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.2 -35.41 17.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.006 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.04 -21.28 11.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.229 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.9 m . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.978 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 44' ' ' GLY . . . -117.57 0.45 12.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.35 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.513 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.5 OUTLIER -73.08 -51.46 6.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.052 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.1 Cg_endo -75.08 -33.16 4.71 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.5 1.789 . . . . 0.0 110.946 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.519 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -85.21 -25.41 27.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -54.61 -52.6 44.35 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.558 1.161 . . . . 0.0 111.026 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.442 ' CD1' ' C ' ' A' ' 45' ' ' PHE . 5.2 t80 -44.72 -36.6 3.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.606 HD11 ' HB2' ' A' ' 10' ' ' LEU . 2.7 tt -79.2 -34.26 43.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.603 1.189 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.865 HD12 HD11 ' A' ' 29' ' ' ILE . 1.7 mm? -71.11 -40.37 71.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -56.58 -37.57 70.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -68.63 -38.99 80.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 110.221 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.92 -27.62 66.91 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.677 HG22 HG21 ' A' ' 29' ' ' ILE . 11.2 t -77.76 -48.17 24.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.102 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -40.41 -55.15 2.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.534 1.147 . . . . 0.0 111.017 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 45' ' ' PHE . 3.4 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -139.19 -47.36 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 -55.44 -37.55 67.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.57 1.169 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.519 ' H ' HD23 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -79.8 -24.92 41.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 0.0 109.278 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.553 HD12 ' CE2' ' A' ' 45' ' ' PHE . 4.5 tp -72.13 -26.78 62.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.405 1.065 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.58 -63.19 1.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.138 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.9 m -51.15 -34.38 30.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.057 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.582 HD11 ' O ' ' A' ' 42' ' ' PRO . 26.5 mt -71.12 -33.13 69.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.36 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.588 HD22 ' O ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -74.39 -53.04 10.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.582 ' N ' HD13 ' A' ' 10' ' ' LEU . 14.4 mtp-105 -45.76 -51.19 13.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 -58.28 -34.89 71.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.4 p -75.62 -23.57 56.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.06 -50.95 9.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.095 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.441 ' C ' ' CG ' ' A' ' 16' ' ' ARG . 1.2 pt20 -72.54 -29.61 63.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.406 1.066 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.441 ' CG ' ' C ' ' A' ' 15' ' ' GLN . 0.7 OUTLIER 38.83 85.06 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.34 50.13 4.15 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.411 1.07 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.69 40.59 0.52 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 38.54 81.52 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.27 -65.47 1.01 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 0.733 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.408 HD13 ' N ' ' A' ' 22' ' ' SER . 0.1 OUTLIER -75.72 -5.68 7.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.143 . . . . 0.0 109.33 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.408 ' N ' HD13 ' A' ' 21' ' ' ILE . 0.4 OUTLIER -39.23 -85.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.992 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -142.55 24.3 1.91 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.7 -81.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.972 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.94 -12.0 60.25 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.615 1.197 . . . . 0.0 109.258 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.409 ' O ' ' CD ' ' A' ' 30' ' ' PRO . . . -70.87 -4.34 54.16 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.438 1.086 . . . . 0.0 111.004 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.401 ' C ' ' HD2' ' A' ' 30' ' ' PRO . 1.1 m-20 -87.79 -9.8 52.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.562 0.801 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 33' ' ' ALA . 80.2 p -90.61 -47.73 7.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.606 1.191 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.693 HD11 ' HA ' ' A' ' 48' ' ' ASN . 0.8 OUTLIER -40.7 -51.5 6.86 Favored Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.547 1.155 . . . . 0.0 109.324 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.4 Cg_endo -74.99 -26.09 11.27 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.495 1.787 . . . . 0.0 110.97 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 28' ' ' SER . 72.0 mttt -92.36 24.61 3.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 63.29 53.73 2.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.021 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 28' ' ' SER . . . 46.53 29.78 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.007 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 44' ' ' GLY . . . -118.51 1.19 11.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.494 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -74.45 -52.37 3.92 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.413 1.071 . . . . 0.0 109.966 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.582 ' O ' HD11 ' A' ' 9' ' ' LEU . 18.4 Cg_endo -74.92 -30.65 7.08 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.389 1.731 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.865 ' CE ' HD23 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -85.2 -32.58 22.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.147 . . . . 0.0 109.36 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 48' ' ' ASN . . . -55.93 -40.54 81.92 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.405 1.066 . . . . 0.0 111.039 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.553 ' CE2' HD12 ' A' ' 6' ' ' LEU . 5.8 t80 -54.04 -31.81 52.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 0.727 . . . . 0.0 110.982 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.581 HD22 ' HB3' ' A' ' 9' ' ' LEU . 11.0 tp -85.34 -33.91 21.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.865 HD23 ' CE ' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -72.71 -31.09 64.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.693 ' HA ' HD11 ' A' ' 29' ' ' ILE . 3.0 t-20 -68.76 -34.36 75.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.73 -31.01 66.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.427 1.08 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.55 -33.38 74.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.528 HG12 ' O ' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -84.98 -28.58 6.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.352 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.98 -51.74 68.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.15 -19.16 20.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 110.257 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -84.94 -34.8 22.41 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.536 1.147 . . . . 0.0 110.332 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.633 ' O ' HD23 ' A' ' 9' ' ' LEU . 1.6 mt -81.75 -24.63 35.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.757 ' O ' HD12 ' A' ' 6' ' ' LEU . 5.1 tp -73.3 -24.97 60.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.354 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.6 -58.81 3.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.379 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.481 ' HA ' ' CD ' ' A' ' 11' ' ' ARG . 22.3 t -52.73 -30.85 34.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.021 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.633 HD23 ' O ' ' A' ' 5' ' ' LEU . 2.3 mm? -67.67 -35.75 79.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.633 HD23 ' N ' ' A' ' 11' ' ' ARG . 0.8 OUTLIER -85.38 -50.94 6.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.633 ' N ' HD23 ' A' ' 10' ' ' LEU . 2.4 ptm180 -57.5 -16.74 10.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.292 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.17 -43.61 13.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.14 -29.74 57.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.38 -40.9 94.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -74.6 -9.0 58.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.259 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -138.53 70.86 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.244 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -40.69 -48.19 3.99 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -40.81 -84.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 79.67 119.29 0.32 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.73 -33.68 18.62 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.44 0.729 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.543 HD13 ' HG3' ' A' ' 43' ' ' LYS . 2.4 mt -80.24 -14.25 13.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.98 -16.92 57.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.92 -38.01 3.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 110.247 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.7 m -64.59 -49.39 71.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.595 1.184 . . . . 0.0 110.045 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.711 HD11 ' HB1' ' A' ' 40' ' ' ALA . 6.2 mt -85.07 -21.83 29.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.39 -23.15 68.18 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.563 1.164 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.06 -18.36 13.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.306 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 p 174.69 68.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.966 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.712 HD11 HD13 ' A' ' 47' ' ' LEU . 1.1 mt -50.3 -52.43 54.34 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.3 Cg_endo -75.04 63.47 6.03 Favored 'Trans proline' 0 C--N 1.358 1.072 0 O-C-N 124.533 1.807 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 30' ' ' PRO . 0.2 OUTLIER 164.29 -57.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.447 ' HB3' HD23 ' A' ' 25' ' ' LEU . 58.0 m -62.95 -43.48 98.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.955 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.78 -15.18 52.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.084 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.406 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 5.3 mtt-85 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.711 ' HB1' HD11 ' A' ' 25' ' ' LEU . . . -93.5 9.32 37.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.591 1.182 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.494 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.4 OUTLIER -77.92 -51.89 1.67 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.3 Cg_endo -75.02 -34.25 3.95 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.494 1.786 . . . . 0.0 110.944 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.543 ' HG3' HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -85.24 -27.05 26.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -48.54 -58.81 7.07 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.464 1.102 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.529 ' HE1' HD13 ' A' ' 6' ' ' LEU . 1.6 t80 -44.24 -33.66 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 0.8 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.522 HD22 ' HB3' ' A' ' 9' ' ' LEU . 36.5 tp -85.16 -33.86 22.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.612 1.195 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.712 HD13 HD11 ' A' ' 29' ' ' ILE . 0.7 OUTLIER -72.09 -24.03 61.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.465 ' O ' HG12 ' A' ' 51' ' ' VAL . 19.1 t-20 -75.82 -39.54 56.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -23.97 64.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.239 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.2 -34.54 75.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.36 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.465 HG12 ' O ' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -84.07 -26.49 7.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -55.24 33.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.9 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 75.51 -61.61 0.47 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 110.266 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.514 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 6.6 ttt85 -51.44 -36.02 42.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.411 ' C ' ' N ' ' A' ' 7' ' ' ALA . 0.8 OUTLIER -57.48 -75.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.361 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.526 ' O ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -46.4 -26.01 0.76 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . -70.98 -63.12 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.3 t -61.91 -29.81 70.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.074 . . . . 0.0 110.015 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.8 tp -69.35 -25.91 64.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.892 HD13 ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -83.38 -40.53 19.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.892 ' N ' HD13 ' A' ' 10' ' ' LEU . 5.9 mtp180 -61.3 -49.61 76.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.3 tp60 -59.78 -28.44 67.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 110.253 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -83.8 -55.11 4.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.051 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.56 -34.06 1.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -85.89 -32.88 21.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 13' ' ' SER . 1.7 mpt_? -163.77 -98.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 48.4 22.49 2.51 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' LEU . . . 37.84 84.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.04 69.46 0.13 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 18' ' ' GLY . 0.2 OUTLIER -108.48 -17.85 13.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.77 . . . . 0.0 109.246 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.759 HG23 HD23 ' A' ' 25' ' ' LEU . 4.4 mp -100.3 -20.01 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.85 -20.61 37.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.965 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -111.59 -43.94 3.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.575 1.172 . . . . 0.0 110.31 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.16 -78.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.006 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.759 HD23 HG23 ' A' ' 21' ' ' ILE . 3.8 mm? -58.7 -23.98 60.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.24 -39.4 92.42 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.556 1.16 . . . . 0.0 111.034 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -77.94 -12.85 60.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 0.783 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.08 -13.18 22.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.01 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.666 HD11 ' O ' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -56.01 -51.9 76.86 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -74.98 -12.52 21.56 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.777 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -85.18 9.74 14.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.83 36.32 2.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.995 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 34' ' ' SER . . . 65.72 43.38 3.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 109.244 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 33' ' ' ALA . 95.3 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.581 1.175 . . . . 0.0 110.01 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 44' ' ' GLY . . . -117.37 -0.3 12.02 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.489 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -72.45 -52.5 6.65 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 0.0 109.949 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.2 Cg_endo -75.01 -33.53 4.49 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.454 1.765 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.555 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -85.48 -22.11 28.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.209 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -55.72 -57.34 19.31 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.589 1.181 . . . . 0.0 111.023 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.48 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 2.2 t80 -48.22 -37.91 17.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.6 tp -84.73 -22.24 29.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.666 ' O ' HD11 ' A' ' 29' ' ' ILE . 0.4 OUTLIER -81.42 -23.75 37.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.474 ' O ' HG12 ' A' ' 51' ' ' VAL . 2.3 t30 -84.97 -26.91 26.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -76.86 -20.1 56.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.432 ' N ' ' HG3' ' A' ' 49' ' ' ARG . . . -73.74 -30.77 63.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.474 HG12 ' O ' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -84.97 -31.14 6.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.417 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 31.4 tp60 -67.09 -55.51 13.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 . . . . . 0 C--N 1.326 -0.428 0 O-C-N 124.402 1.064 . . . . 0.0 111.017 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 2.3 m . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 2' ' ' SER . 0.0 OUTLIER 160.83 -74.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.468 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 1.3 mpt_? -84.81 -15.18 45.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 tp -66.08 -34.2 77.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.259 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.1 tp -64.15 -23.15 67.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . -69.16 -63.59 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.488 ' HA ' ' CD ' ' A' ' 11' ' ' ARG . 3.1 m -55.19 -31.47 61.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.038 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.816 HD11 ' HA ' ' A' ' 43' ' ' LYS . 2.1 mm? -67.43 -34.88 78.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.357 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.735 HD23 ' C ' ' A' ' 10' ' ' LEU . 1.4 tt -85.48 -47.96 9.43 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.475 1.109 . . . . 0.0 109.354 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.488 ' CD ' ' HA ' ' A' ' 8' ' ' SER . 2.0 ptm180 -62.65 -14.6 45.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.422 ' CB ' ' O ' ' A' ' 8' ' ' SER . 1.9 tm0? -85.14 -42.35 14.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.255 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.0 p -76.34 -36.92 57.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.033 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.36 -42.17 86.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.588 1.18 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 16' ' ' ARG . 6.0 pt20 -72.81 -28.36 62.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.384 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER 37.45 41.8 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -48.13 -72.75 0.4 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.575 1.172 . . . . 0.0 111.032 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -93.89 -77.34 1.37 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 152.67 69.64 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.0 tp -71.1 -38.32 72.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.468 HD12 ' HE3' ' A' ' 43' ' ' LYS . 14.4 tt -100.97 5.82 10.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 21' ' ' ILE . 31.3 t -39.1 -73.82 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -155.54 25.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.219 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.12 -85.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.042 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.809 HD13 ' HB2' ' A' ' 32' ' ' SER . 0.3 OUTLIER -77.83 -27.79 50.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.448 ' C ' ' N ' ' A' ' 28' ' ' SER . . . -66.92 -52.98 29.44 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.469 1.105 . . . . 0.0 110.995 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 26' ' ' GLY . 10.1 t30 -40.0 -29.88 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 0.727 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -147.81 62.67 1.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 110.032 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.75 ' CG1' HD22 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -43.87 -50.52 19.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.3 Cg_endo -75.04 -69.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.491 1.784 . . . . 0.0 110.975 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.425 ' CB ' ' OG ' ' A' ' 28' ' ' SER . 0.7 OUTLIER -39.04 -49.01 1.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.809 ' HB2' HD13 ' A' ' 25' ' ' LEU . 13.2 m -67.19 -43.27 82.55 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.48 1.113 . . . . 0.0 110.054 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.65 ' HB2' ' O ' ' A' ' 29' ' ' ILE . . . -59.47 -16.28 23.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 109.982 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.6 mtm180 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 44' ' ' GLY . . . -107.64 -9.28 15.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.537 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -75.13 -49.65 4.05 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.023 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.4 Cg_endo -74.97 -33.05 4.91 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.816 ' HA ' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -85.63 -33.8 21.54 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -43.52 -52.95 6.17 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -44.95 -39.02 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.756 . . . . 0.0 110.988 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.414 ' CB ' HD12 ' A' ' 9' ' ' LEU . 22.5 tp -77.32 -31.94 54.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.805 HD11 ' HB3' ' A' ' 25' ' ' LEU . 10.2 mt -71.6 -45.02 63.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.481 ' O ' HG12 ' A' ' 51' ' ' VAL . 7.9 m-80 -51.03 -39.72 56.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -26.95 57.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.335 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.87 -31.33 66.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.481 HG12 ' O ' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -85.03 -23.04 7.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.89 -54.97 22.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.353 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 m . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -76.94 -57.97 3.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.586 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 7.4 mtt180 -54.45 -34.21 61.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 tp -58.15 -52.0 67.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.8 tp -41.97 -34.47 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . -60.83 -64.38 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.093 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.501 ' O ' ' CG ' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -53.81 -31.7 50.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.082 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.635 HD21 ' O ' ' A' ' 42' ' ' PRO . 5.1 mp -61.87 -39.0 90.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.757 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -72.61 -50.23 26.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.553 ' N ' HD13 ' A' ' 10' ' ' LEU . 63.9 mtp180 -55.38 -33.52 63.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.275 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.501 ' CG ' ' O ' ' A' ' 8' ' ' SER . 3.3 mm100 -67.54 -42.75 82.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.175 . . . . 0.0 110.351 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.2 p -78.77 -19.81 51.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 109.996 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.46 -50.0 10.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.353 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -63.41 -12.11 28.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.33 77.74 1.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.14 -37.35 79.59 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.67 -59.0 1.38 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.44 -99.84 1.9 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mp 62.25 14.46 6.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.481 HG22 HD21 ' A' ' 47' ' ' LEU . 8.5 mm -135.42 -46.55 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.0 109.245 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.87 -16.67 61.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.372 1.045 . . . . 0.0 109.966 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.15 -33.57 6.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.86 -39.76 34.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.033 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.09 -11.58 54.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.475 ' HA2' HD12 ' A' ' 29' ' ' ILE . . . -77.33 -11.84 85.13 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.54 -17.92 16.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.482 ' CB ' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -170.17 68.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.739 HD11 ' CD1' ' A' ' 47' ' ' LEU . 1.5 mt -76.94 -50.95 2.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.237 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -75.1 -12.21 21.31 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 0.0 110.967 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.482 ' HB2' ' CB ' ' A' ' 28' ' ' SER . 26.7 mttt -85.2 9.62 14.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.59 32.5 3.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 110.091 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 58.24 35.41 24.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.017 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 44' ' ' GLY . . . -119.93 -2.44 10.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.497 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -73.12 -51.84 5.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 109.986 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.635 ' O ' HD21 ' A' ' 9' ' ' LEU . 18.3 Cg_endo -75.02 -33.43 4.56 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.52 1.8 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.55 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -85.24 -24.5 27.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 48' ' ' ASN . . . -53.51 -56.51 19.58 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.403 1.064 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.416 ' HB3' ' CD2' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -48.01 -43.11 29.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 0.0 111.013 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.509 HD22 ' O ' ' A' ' 9' ' ' LEU . 13.9 tp -80.11 -21.69 42.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.246 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.739 ' CD1' HD11 ' A' ' 29' ' ' ILE . 1.5 mm? -81.47 -22.99 37.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 44' ' ' GLY . 22.9 t-20 -81.96 -32.8 30.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -25.39 63.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.256 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.99 -42.27 98.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 t -85.29 -22.9 7.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -61.3 -47.37 86.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.975 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.455 ' O ' HD23 ' A' ' 6' ' ' LEU . 24.9 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -93.88 -52.97 4.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.253 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.698 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -83.23 -21.78 33.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.253 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.438 ' C ' ' N ' ' A' ' 7' ' ' ALA . 1.1 mp -62.84 -70.61 0.2 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.455 HD23 ' O ' ' A' ' 2' ' ' SER . 0.7 OUTLIER -40.67 -29.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.369 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.698 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . -60.34 -67.13 0.42 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.525 ' O ' ' CG ' ' A' ' 12' ' ' GLN . 35.7 t -53.98 -38.67 65.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.03 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.593 HD12 HD12 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -63.12 -31.39 72.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.844 HD13 ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -85.76 -47.15 10.01 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.363 179.901 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.844 ' N ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -65.45 -28.24 69.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.366 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.525 ' CG ' ' O ' ' A' ' 8' ' ' SER . 5.7 mm-40 -85.34 -39.59 17.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.454 ' HG ' ' HA ' ' A' ' 10' ' ' LEU . 90.3 p -73.57 -32.17 64.01 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.463 1.102 . . . . 0.0 110.04 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.11 -40.23 95.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -78.18 -25.58 47.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.268 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 38.9 51.56 1.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.249 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -89.64 33.16 4.48 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.541 1.151 . . . . 0.0 111.031 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 119.7 63.48 0.27 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.459 ' O ' ' CB ' ' A' ' 22' ' ' SER . . . -115.79 102.15 1.07 Allowed Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 24' ' ' SER . 1.1 mt -62.2 -59.77 4.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 0.74 . . . . 0.0 109.222 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.572 HD13 ' N ' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -48.6 -24.18 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 1.6 t -54.38 -25.9 27.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.97 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -141.29 -47.28 0.39 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 20' ' ' LEU . 1.9 m -42.8 -49.45 5.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.989 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.731 ' HB3' HD11 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -84.6 -22.81 29.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.52 -11.57 42.13 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 111.05 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -102.39 -13.34 17.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.586 0.815 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.6 ' HB2' HD13 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -93.98 -2.56 52.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.019 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.698 HG13 HD22 ' A' ' 47' ' ' LEU . 1.3 mm -68.58 -49.5 29.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.5 Cg_endo -75.0 -9.77 20.91 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.541 1.811 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -86.31 11.19 12.75 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.434 1.084 . . . . 0.0 109.341 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 72.8 m 66.11 40.07 4.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 34' ' ' SER . . . 65.03 44.46 3.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 33' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.968 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.01 4.86 45.03 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.531 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.5 OUTLIER -77.39 -50.16 2.15 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.046 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.2 Cg_endo -75.01 -33.4 4.6 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.478 1.778 . . . . 0.0 111.049 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.501 ' CD ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -85.67 -32.65 21.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -42.75 -56.98 4.14 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -45.72 -31.84 2.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 0.797 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.593 HD12 HD12 ' A' ' 9' ' ' LEU . 8.1 mt -84.83 -32.93 23.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.731 HD11 ' HB3' ' A' ' 25' ' ' LEU . 7.2 mt -72.63 -37.32 68.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.249 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.569 ' O ' HG12 ' A' ' 51' ' ' VAL . 20.8 t-20 -59.74 -38.03 80.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.13 -25.99 58.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.8 -30.71 68.31 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.569 HG12 ' O ' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -85.09 -28.11 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.8 tp60 -63.94 -55.98 18.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.356 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 179.955 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.573 ' O ' ' CE2' ' A' ' 45' ' ' PHE . 52.7 p . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.08 -60.34 2.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.478 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 1.5 mtm105 -56.92 -24.47 52.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.419 ' CB ' ' HB2' ' A' ' 2' ' ' SER . 10.6 tp -68.01 -37.82 81.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.54 ' HG ' HD12 ' A' ' 46' ' ' LEU . 1.4 tt -58.07 -24.82 59.99 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.488 1.118 . . . . 0.0 109.357 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . -63.51 -66.83 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.41 ' O ' ' CG ' ' A' ' 12' ' ' GLN . 24.5 t -55.39 -35.82 65.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 0.0 109.978 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.534 ' HB3' HD22 ' A' ' 46' ' ' LEU . 5.9 mt -59.05 -40.3 84.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.604 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -70.6 -52.39 21.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.578 ' N ' HD13 ' A' ' 10' ' ' LEU . 14.8 mtp-105 -52.84 -31.96 41.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 110.333 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.41 ' CG ' ' O ' ' A' ' 8' ' ' SER . 4.0 mm-40 -72.63 -41.37 65.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.3 p -76.26 -32.62 58.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.13 -44.49 79.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 16' ' ' ARG . 5.4 pt20 -76.29 -24.5 54.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' GLN . 0.4 OUTLIER 38.25 73.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.286 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.09 -47.49 11.14 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.57 -65.1 0.26 Allowed Glycine 0 CA--C 1.529 0.964 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.64 61.28 0.01 OUTLIER Glycine 0 CA--C 1.529 0.929 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.517 HD23 ' H ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -64.12 -33.98 77.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 0.748 . . . . 0.0 109.274 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.891 HD12 HD21 ' A' ' 47' ' ' LEU . 28.7 mm -131.49 9.71 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.3 -86.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.31 10.31 11.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.259 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 m -82.14 -94.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.962 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.868 ' O ' HD11 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -84.98 47.93 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.93 -48.73 0.04 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -51.11 -22.44 2.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 0.785 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 32' ' ' SER . 55.5 m -138.9 63.48 1.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.862 HG23 HG22 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -58.69 -45.26 99.65 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.248 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.709 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 18.5 Cg_endo -75.0 -46.41 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.415 1.745 . . . . 0.0 111.028 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.464 ' CB ' ' HB3' ' A' ' 28' ' ' SER . 0.0 OUTLIER -64.64 -61.42 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.35 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 28' ' ' SER . 16.5 m -50.8 -22.26 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.059 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.709 ' HB3' ' O ' ' A' ' 30' ' ' PRO . . . -58.06 -17.09 15.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 53.1 m . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.055 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 44' ' ' GLY . . . -115.47 0.88 13.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.5 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -72.41 -52.25 6.93 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.1 . . . . 0.0 109.993 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.4 Cg_endo -74.92 -33.98 4.28 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.485 1.781 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.804 ' O ' HD23 ' A' ' 47' ' ' LEU . 1.9 mmtt -85.55 -20.72 29.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -56.53 -57.01 21.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.544 1.153 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.573 ' CE2' ' O ' ' A' ' 2' ' ' SER . 33.4 t80 -44.96 -40.48 6.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 111.007 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.54 HD12 ' HG ' ' A' ' 6' ' ' LEU . 7.6 tp -76.9 -30.64 56.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.891 HD21 HD12 ' A' ' 21' ' ' ILE . 4.0 mm? -71.96 -43.2 65.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -54.26 -41.74 69.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.406 ' NH2' ' OE1' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -61.62 -41.8 97.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.601 ' O ' ' CD1' ' A' ' 53' ' ' TYR . . . -64.45 -50.89 65.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.862 HG22 HG23 ' A' ' 29' ' ' ILE . 17.2 t -46.86 -34.12 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.357 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -44.69 -62.98 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.352 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.7 p . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -68.9 -18.65 64.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -78.28 -34.3 48.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.283 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.621 HD23 ' N ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -60.4 -68.15 0.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.747 HD23 ' CZ ' ' A' ' 45' ' ' PHE . 1.6 pp -48.04 -33.89 8.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.04 -56.13 14.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 12' ' ' GLN . 53.5 m -54.11 -28.2 37.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.1 mt -70.61 -35.95 73.24 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.433 1.083 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.795 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -85.34 -48.74 8.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.701 ' N ' HD13 ' A' ' 10' ' ' LEU . 2.4 ptm180 -59.36 -27.12 65.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.489 ' CB ' ' O ' ' A' ' 8' ' ' SER . 2.8 tp60 -85.03 -31.5 23.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.2 p -81.68 -20.12 40.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.985 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.41 -39.79 37.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -80.23 2.06 25.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -90.43 16.72 8.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 37.74 62.62 0.96 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 154.48 -55.22 0.42 Allowed Glycine 0 CA--C 1.531 1.061 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.76 136.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.14 -46.46 16.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 0.811 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.542 HD11 HD21 ' A' ' 47' ' ' LEU . 10.2 tp -92.68 9.71 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.8 -51.66 9.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.932 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -164.78 28.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 110.277 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.36 -65.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.03 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.409 ' HB2' ' CD1' ' A' ' 21' ' ' ILE . 0.3 OUTLIER -81.61 -24.44 36.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.147 . . . . 0.0 109.36 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.75 -17.05 62.22 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.472 1.108 . . . . 0.0 110.975 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.2 -12.03 29.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 33' ' ' ALA . 1.4 m -93.62 -10.45 34.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.991 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.651 HG13 HD13 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -71.65 -53.0 7.74 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.591 1.182 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.4 Cg_endo -74.92 -13.85 21.48 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.524 1.802 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.442 ' CG ' ' HB2' ' A' ' 34' ' ' SER . 15.9 tttt -86.99 12.42 11.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.523 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.4 OUTLIER 67.28 34.16 5.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.46 1.1 . . . . 0.0 110.049 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 32' ' ' SER . . . 72.54 47.39 0.25 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.127 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 33' ' ' ALA . 9.2 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.409 ' O ' ' CA ' ' A' ' 44' ' ' GLY . . . -120.32 -2.98 10.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.465 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -74.76 -53.78 3.05 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.0 Cg_endo -74.96 -32.87 5.09 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.477 1.777 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.551 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -85.44 -24.02 27.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -52.75 -62.04 6.24 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.548 1.155 . . . . 0.0 111.044 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.747 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 1.7 t80 -43.57 -34.92 1.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 0.728 . . . . 0.0 111.018 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.7 tt -84.25 -34.19 23.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.347 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.651 HD13 HG13 ' A' ' 29' ' ' ILE . 0.1 OUTLIER -70.67 -29.88 66.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 44' ' ' GLY . 0.8 OUTLIER -70.44 -37.23 74.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.63 -27.19 64.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 110.336 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.59 ' HA ' ' CD2' ' A' ' 53' ' ' TYR . . . -75.11 -51.94 12.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -61.18 -15.65 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.68 -50.98 11.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.637 ' CD1' ' C ' ' A' ' 53' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.411 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 80.7 p . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.411 ' CB ' ' O ' ' A' ' 2' ' ' SER . 0.0 OUTLIER 78.24 -60.86 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.255 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.587 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -70.59 -30.65 67.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.27 -68.03 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.594 HD12 HD12 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -45.43 -29.43 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . -65.8 -64.3 0.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.466 ' O ' ' CG ' ' A' ' 12' ' ' GLN . 0.9 OUTLIER -49.76 -31.24 11.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 110.007 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.825 HD12 HD22 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -74.43 -32.95 62.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.727 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -74.59 -41.03 61.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 109.327 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.447 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 29.9 mtp180 -65.87 -21.42 66.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.334 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.466 ' CG ' ' O ' ' A' ' 8' ' ' SER . 9.3 mm-40 -78.18 -43.5 28.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.32 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.1 t -75.53 -30.38 59.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.045 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.6 -44.98 73.18 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 11' ' ' ARG . 4.6 pt20 -74.7 -30.76 61.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 38.79 85.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -118.14 51.06 0.76 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.538 1.149 . . . . 0.0 110.951 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 151.39 -65.63 0.36 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.6 67.04 0.94 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.74 -10.71 20.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.767 . . . . 0.0 109.213 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.473 ' CD1' ' HB3' ' A' ' 43' ' ' LYS . 0.7 OUTLIER -116.0 -1.92 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 109.34 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.0 m -109.37 -22.75 11.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -103.71 -46.79 4.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.61 -72.93 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.975 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.919 HD13 ' OG ' ' A' ' 32' ' ' SER . 1.6 mm? -84.13 48.79 1.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.167 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -137.45 -62.31 0.05 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.554 1.159 . . . . 0.0 111.063 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -52.96 -21.16 4.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 0.785 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.51 ' O ' ' N ' ' A' ' 32' ' ' SER . 62.9 m -145.74 53.23 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 110.044 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.715 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -43.47 -50.08 17.07 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.1 Cg_endo -74.94 -65.66 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.482 1.78 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.31 -58.05 3.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.919 ' OG ' HD13 ' A' ' 25' ' ' LEU . 22.3 p -56.78 -37.43 71.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.996 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 29' ' ' ILE . . . -65.66 -10.99 41.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.259 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.071 179.941 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.48 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 31.1 mtt180 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.408 ' O ' ' HA3' ' A' ' 44' ' ' GLY . . . -94.53 8.85 40.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.547 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.5 OUTLIER -80.05 -49.05 1.29 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 41' ' ' SER . 17.9 Cg_endo -75.15 -34.29 3.81 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.486 1.782 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.532 ' HG2' HD21 ' A' ' 9' ' ' LEU . 3.5 mtpt -85.48 -38.3 18.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -37.35 -53.38 1.71 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.123 . . . . 0.0 111.046 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -44.01 -44.75 7.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 111.026 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.825 HD22 HD12 ' A' ' 9' ' ' LEU . 1.7 tp -73.17 -30.21 63.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.25 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.648 HD13 HG12 ' A' ' 29' ' ' ILE . 10.7 mt -71.85 -46.99 56.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.59 1.181 . . . . 0.0 109.242 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -50.05 -39.5 42.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.417 1.073 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.33 -23.28 43.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.31 -30.39 57.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -85.02 -25.77 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -48.7 68.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.353 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.005 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 69.72 -60.19 0.48 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 0.0 110.323 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -54.96 -32.63 61.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.342 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.1 tp -66.15 -33.75 76.48 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.578 1.174 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.2 tp -64.69 -26.75 68.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.09 -62.4 1.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.92 -28.64 17.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.979 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.495 ' HB3' HD13 ' A' ' 46' ' ' LEU . 0.4 OUTLIER -69.8 -32.01 70.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.735 HD23 ' N ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -81.45 -46.14 15.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.342 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.735 ' N ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -60.53 -19.21 56.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -85.01 -40.55 16.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.3 t -77.29 -24.33 51.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 110.049 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.38 -39.07 48.59 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 109.238 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -79.85 -4.3 51.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 110.254 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -101.37 -24.21 14.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.265 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.67 -56.22 3.79 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 159.43 50.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -107.59 -50.91 0.78 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.455 HD23 ' N ' ' A' ' 21' ' ' ILE . 1.2 pt? -61.81 -16.8 52.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.763 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.455 ' N ' HD23 ' A' ' 20' ' ' LEU . 14.9 tt -125.27 14.6 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.17 . . . . 0.0 109.249 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.5 t -42.35 -49.31 5.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.974 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.01 37.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.347 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.42 -72.41 0.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.421 1.075 . . . . 0.0 109.991 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.674 HD11 ' HB1' ' A' ' 40' ' ' ALA . 14.5 mt -84.82 -29.13 25.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.38 -22.89 63.91 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -54.54 -20.16 7.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.409 0.711 . . . . 0.0 109.353 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.6 63.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.928 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 1.105 HD11 HD12 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -45.76 -51.31 30.22 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -74.99 54.66 3.71 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.49 1.784 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 32' ' ' SER . 0.3 OUTLIER 175.51 -59.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.433 ' C ' ' N ' ' A' ' 34' ' ' SER . 2.9 m -65.58 -40.62 92.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.173 . . . . 0.0 109.953 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -39.91 -30.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.433 ' N ' ' C ' ' A' ' 32' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 109.954 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.462 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 3.5 tpp85 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.674 ' HB1' HD11 ' A' ' 25' ' ' LEU . . . -132.57 5.67 4.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.508 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -83.78 -51.77 0.61 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.989 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.5 Cg_endo -74.98 -33.09 4.87 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.587 1.835 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.462 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -85.76 -35.79 20.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.598 1.186 . . . . 0.0 109.25 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 48' ' ' ASN . . . -45.65 -43.44 11.32 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.494 1.121 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -54.44 -38.96 66.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 111.087 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.495 HD13 ' HB3' ' A' ' 9' ' ' LEU . 9.7 tp -85.34 -23.08 28.21 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.423 1.077 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 1.105 HD12 HD11 ' A' ' 29' ' ' ILE . 1.1 mm? -80.13 -27.46 39.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 44' ' ' GLY . 1.0 OUTLIER -78.7 -29.74 45.64 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.586 1.179 . . . . 0.0 109.305 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.417 ' HG3' ' N ' ' A' ' 50' ' ' ALA . 1.9 ppt_? -74.45 -21.34 59.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.417 ' N ' ' HG3' ' A' ' 49' ' ' ARG . . . -74.36 -28.59 61.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.595 ' CG2' ' CG2' ' A' ' 29' ' ' ILE . 29.0 t -74.94 -59.95 2.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.566 1.166 . . . . 0.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -44.3 -38.63 4.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.097 . . . . 0.0 110.991 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.17 -57.7 3.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.592 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 4.3 mtm180 -52.43 -32.35 38.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 tp -56.7 -59.25 5.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.963 HD12 HD12 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -46.52 -35.35 5.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.231 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . -62.76 -63.53 1.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.4 m -58.17 -31.49 67.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.028 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.792 ' HB3' HD22 ' A' ' 46' ' ' LEU . 0.9 OUTLIER -65.72 -32.2 73.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.147 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.667 HD13 ' N ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -78.43 -50.69 11.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 109.269 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.667 ' N ' HD13 ' A' ' 10' ' ' LEU . 15.4 mtp-105 -50.85 -52.25 43.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.251 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -51.6 -39.76 58.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.446 1.091 . . . . 0.0 110.26 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.64 -31.26 59.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 109.99 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.76 -33.96 74.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.51 -51.11 6.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.334 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 56.49 91.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -98.25 -54.4 1.18 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -114.58 -55.39 0.39 Allowed Glycine 0 CA--C 1.531 1.061 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.463 ' O ' HG22 ' A' ' 21' ' ' ILE . . . 135.49 -101.25 0.38 Allowed Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 mp 53.62 22.93 3.28 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.47 0.747 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.463 HG22 ' O ' ' A' ' 19' ' ' GLY . 17.2 tt -143.44 -47.08 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.248 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.78 -19.57 32.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.01 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -93.83 -54.11 3.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.395 1.06 . . . . 0.0 110.248 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.7 m -66.07 -89.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.027 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.641 HD11 ' CB ' ' A' ' 40' ' ' ALA . 2.0 mt -80.52 55.03 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.237 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.2 -46.51 0.05 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.476 1.11 . . . . 0.0 110.943 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -52.5 -21.13 3.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 0.745 . . . . 0.0 109.333 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -166.72 78.21 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.95 ' CD1' HD12 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -63.45 -43.91 80.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.6 Cg_endo -74.98 0.58 8.72 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.504 1.792 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -137.62 16.45 2.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 28' ' ' SER . 1.7 m -111.35 -42.47 3.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 110.088 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.69 -13.73 35.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.584 1.178 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.03 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.641 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -98.29 0.31 45.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.493 ' CB ' ' HD3' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -68.78 -55.78 10.56 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.04 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.493 ' HD3' ' CB ' ' A' ' 41' ' ' SER . 18.2 Cg_endo -75.01 -28.43 9.16 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.504 1.792 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.885 ' CD ' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -85.08 -23.51 28.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -63.81 -50.02 64.14 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.679 ' HE1' HD13 ' A' ' 6' ' ' LEU . 6.3 t80 -46.08 -32.69 3.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 0.784 . . . . 0.0 111.006 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.963 HD12 HD12 ' A' ' 6' ' ' LEU . 6.6 tp -84.35 -32.74 24.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.95 HD12 ' CD1' ' A' ' 29' ' ' ILE . 1.3 mm? -73.64 -34.16 64.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 44' ' ' GLY . 1.3 m-20 -62.88 -39.66 95.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.23 -38.39 90.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.609 ' O ' ' CD1' ' A' ' 53' ' ' TYR . . . -52.13 -38.33 57.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.496 ' CG2' HG21 ' A' ' 29' ' ' ILE . 85.9 t -84.21 -27.52 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.51 -55.56 32.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.157 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.609 ' CD1' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.02 -49.74 39.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.239 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.88 -39.21 84.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 tp -62.07 -51.55 67.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.908 HD13 ' N ' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -52.22 -45.81 65.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.908 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -56.86 -58.46 8.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.87 -23.48 2.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.944 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.917 ' HB3' HD22 ' A' ' 46' ' ' LEU . 1.1 mm? -81.53 -31.76 32.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.771 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -80.87 -47.95 13.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.365 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.749 ' N ' HD13 ' A' ' 10' ' ' LEU . 21.3 mtm180 -54.74 -50.75 67.62 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.448 1.092 . . . . 0.0 110.285 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -49.17 -43.57 42.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 110.341 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.07 -29.75 60.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.965 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.71 -32.82 73.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.184 . . . . 0.0 109.243 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.35 -51.49 6.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.152 . . . . 0.0 110.335 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.24 -42.04 4.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.413 1.071 . . . . 0.0 110.291 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.4 -52.69 3.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.55 -60.32 5.93 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 79.31 90.86 0.41 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.44 -54.94 5.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 0.746 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.478 ' CG2' HD21 ' A' ' 47' ' ' LEU . 1.3 mp -56.71 -18.64 7.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.5 p -52.89 -57.62 9.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.979 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -102.32 -33.18 9.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.334 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.7 t -53.92 -86.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.966 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.17 54.61 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.44 ' HA2' HD12 ' A' ' 47' ' ' LEU . . . -140.08 -44.47 0.07 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.432 1.082 . . . . 0.0 111.027 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -45.07 -26.52 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 0.792 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 26' ' ' GLY . 12.0 p -112.48 48.89 0.96 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.95 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.563 HD11 HD12 ' A' ' 47' ' ' LEU . 0.6 OUTLIER -77.64 -53.71 1.5 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.4 Cg_endo -74.98 -10.37 21.21 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.508 1.793 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -78.71 2.44 19.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 71.41 33.14 1.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.969 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 54.02 27.41 7.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.002 179.922 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.48 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.416 ' O ' ' HA3' ' A' ' 44' ' ' GLY . . . -93.6 12.28 25.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.51 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.5 OUTLIER -81.92 -51.39 0.81 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.959 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.2 Cg_endo -75.05 -33.93 4.16 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.777 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.591 ' HG2' HD11 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -85.5 -36.84 20.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -38.07 -56.71 1.78 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.568 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 5.9 t80 -44.84 -38.46 4.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 0.733 . . . . 0.0 111.043 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.917 HD22 ' HB3' ' A' ' 9' ' ' LEU . 55.2 tp -78.98 -31.49 44.91 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.563 HD12 HD11 ' A' ' 29' ' ' ILE . 4.3 mm? -72.48 -36.93 68.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.426 1.079 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.59 -37.12 85.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.595 1.185 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -32.28 71.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.13 -34.98 72.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -85.19 -29.29 6.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -59.91 -48.54 81.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 110.973 -179.949 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.68 -44.53 85.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -38.68 90.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.587 1.179 . . . . 0.0 110.253 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.543 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -65.57 -55.89 15.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.16 . . . . 0.0 109.284 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.648 HD22 ' CE1' ' A' ' 45' ' ' PHE . 2.4 tp -56.31 -24.96 46.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.39 -55.25 5.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.248 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.99 -25.75 61.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.992 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.758 ' HB3' HD13 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -74.55 -29.72 61.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.773 HD13 ' N ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -79.06 -46.23 18.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.773 ' N ' HD13 ' A' ' 10' ' ' LEU . 68.7 mtp180 -54.03 -37.89 64.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.2 tp60 -69.98 -35.4 74.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.1 t -77.86 -32.11 51.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.1 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.53 -49.43 59.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.424 ' NE2' ' O ' ' A' ' 11' ' ' ARG . 4.9 pt20 -68.79 -14.23 62.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.7 mtt85 -140.58 68.97 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.3 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -40.53 -36.68 1.06 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.541 1.15 . . . . 0.0 111.02 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -47.26 -79.19 0.07 OUTLIER Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 65.23 108.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mt -74.19 -42.58 59.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 0.0 109.352 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.482 HD13 ' N ' ' A' ' 22' ' ' SER . 0.1 OUTLIER -69.86 -10.67 13.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.482 ' N ' HD13 ' A' ' 21' ' ' ILE . 0.5 OUTLIER -67.08 -19.81 65.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.957 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.51 -56.23 1.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.21 -44.3 22.34 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 110.067 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.15 -22.5 28.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.538 ' HA3' HD11 ' A' ' 29' ' ' ILE . . . -82.93 11.08 55.74 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -69.86 -16.92 63.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.424 0.72 . . . . 0.0 109.305 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 m -146.13 60.03 1.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.422 1.076 . . . . 0.0 109.996 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.538 HD11 ' HA3' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -82.16 -52.17 0.74 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.3 Cg_endo -75.01 0.91 8.34 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.533 1.807 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.52 14.09 17.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.589 1.18 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.4 m 67.69 41.87 2.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.057 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 59.18 39.33 23.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.219 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.007 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 44' ' ' GLY . . . -116.41 2.11 13.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.517 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.6 OUTLIER -73.35 -51.26 5.83 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.952 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.4 Cg_endo -74.93 -33.41 4.71 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.589 1.836 . . . . 0.0 111.033 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.566 ' HD2' HD21 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -85.43 -25.32 27.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -55.09 -47.27 74.55 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.648 ' CE1' HD22 ' A' ' 6' ' ' LEU . 1.3 t80 -52.36 -41.06 62.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 0.782 . . . . 0.0 110.961 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.758 HD13 ' HB3' ' A' ' 9' ' ' LEU . 0.9 OUTLIER -85.16 -16.03 41.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.404 HD21 HG12 ' A' ' 21' ' ' ILE . 0.5 OUTLIER -85.17 -30.31 24.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' GLY . 2.0 t30 -81.85 -31.87 31.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.544 ' HD3' HD12 ' A' ' 46' ' ' LEU . 4.2 ptm180 -74.86 -11.86 60.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.95 -37.27 40.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.493 HG23 ' CG2' ' A' ' 29' ' ' ILE . 2.3 t -71.52 -58.21 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 53' ' ' TYR . 13.6 pt20 -40.19 -42.64 1.52 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 110.288 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.413 ' N ' ' HG3' ' A' ' 52' ' ' GLN . 1.4 m-30 . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 m . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -45.84 -68.25 0.21 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.43 1.081 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.55 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -48.4 -38.3 19.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.429 ' C ' ' N ' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -54.09 -77.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.573 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -42.86 -28.33 0.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . -71.24 -57.97 3.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.5 p -60.89 -24.22 65.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.64 -26.8 62.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.386 1.054 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.784 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -84.6 -45.56 12.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.776 ' N ' HD13 ' A' ' 10' ' ' LEU . 57.4 mtp180 -58.36 -36.52 73.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.239 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -72.75 -32.72 65.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 t -78.16 -33.54 50.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 110.055 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.64 -42.92 70.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -75.45 -11.89 60.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.51 1.131 . . . . 0.0 110.333 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -57.42 -33.91 68.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.224 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.88 -52.55 3.97 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.557 1.161 . . . . 0.0 111.02 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.0 -59.67 8.24 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 154.45 -91.6 0.13 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mt 66.75 25.92 9.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 0.805 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 12.1 tt -159.95 -44.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.41 -61.08 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.941 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.3 ptt-85 -157.51 26.68 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.1 m -75.05 -96.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.505 HD11 ' CB ' ' A' ' 32' ' ' SER . 4.2 tp -84.13 7.18 19.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.44 ' C ' ' N ' ' A' ' 28' ' ' SER . . . -86.68 -36.62 9.25 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.553 1.158 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -43.46 -26.9 0.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.44 ' N ' ' C ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -154.24 83.52 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.962 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.714 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -75.63 -39.48 2.97 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.714 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.4 Cg_endo -75.05 -11.32 21.38 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.537 1.809 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.8 -0.7 14.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.505 ' CB ' HD11 ' A' ' 25' ' ' LEU . 55.6 p -89.14 -34.2 16.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.031 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.46 -15.39 26.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.127 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.5 p . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.565 1.166 . . . . 0.0 109.962 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 44' ' ' GLY . . . -93.15 -0.98 56.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.51 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -74.11 -51.62 4.66 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 110.058 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.4 Cg_endo -75.05 -31.95 5.72 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.5 1.789 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.501 ' CD ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -85.56 -32.18 22.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -46.36 -54.1 8.93 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.601 1.188 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.573 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 2.2 t80 -45.01 -33.43 2.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.453 HD23 ' HE2' ' A' ' 43' ' ' LYS . 11.5 tp -82.7 -34.35 27.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.624 HD12 HG21 ' A' ' 29' ' ' ILE . 0.1 OUTLIER -70.4 -37.87 74.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -59.65 -43.95 93.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.155 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -66.6 -26.57 67.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 47' ' ' LEU . . . -62.27 -38.26 88.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 38.3 t -85.11 -26.07 6.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.18 -54.61 34.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.417 1.073 . . . . 0.0 111.047 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.413 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 10.2 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.686 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 4.7 mtt85 -44.38 -38.7 4.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.435 1.084 . . . . 0.0 110.291 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -65.34 -41.41 93.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 110.252 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.413 ' HB2' ' CB ' ' A' ' 2' ' ' SER . 3.5 tp -66.82 -59.27 3.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.53 HD11 ' HA ' ' A' ' 3' ' ' ARG . 0.3 OUTLIER -59.55 -17.98 37.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 3' ' ' ARG . . . -77.09 -59.39 2.8 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.508 1.13 . . . . 0.0 109.368 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.6 t -50.7 -30.52 13.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.042 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.15 -28.52 54.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.734 HD23 ' C ' ' A' ' 10' ' ' LEU . 3.3 tt -84.4 -53.63 5.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.503 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 18.6 mtm180 -48.95 -23.03 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -85.21 -40.9 16.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.348 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.7 t -73.67 -26.05 60.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.932 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.74 -31.04 71.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.433 1.083 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 11' ' ' ARG . 0.2 OUTLIER -85.28 -45.63 11.77 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.57 1.169 . . . . 0.0 110.322 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -38.21 -31.39 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.27 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 15' ' ' GLN . . . 77.71 -52.96 3.61 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.478 1.111 . . . . 0.0 110.975 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.24 -64.94 2.77 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.79 110.79 0.09 OUTLIER Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.19 -68.4 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.471 HG22 ' CE ' ' A' ' 43' ' ' LYS . 2.5 pp -52.21 -22.05 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.29 -22.49 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.989 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.2 ptt-85 -146.91 -45.82 0.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 m -43.15 -89.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.615 ' HB3' HD11 ' A' ' 47' ' ' LEU . 0.7 OUTLIER -70.31 -25.22 63.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.71 -23.52 63.21 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.442 1.089 . . . . 0.0 110.995 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -86.39 -15.0 41.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 0.72 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.97 -10.37 36.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 0.0 109.972 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.889 HG13 HD22 ' A' ' 47' ' ' LEU . 0.7 OUTLIER -68.3 -53.31 18.63 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.3 Cg_endo -74.97 -10.46 21.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.78 . . . . 0.0 111.02 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -82.48 6.27 17.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.498 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.5 OUTLIER 69.08 34.88 2.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 32' ' ' SER . . . 71.92 48.04 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 33' ' ' ALA . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.966 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -93.46 7.17 45.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.5 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.5 OUTLIER -77.58 -51.54 1.86 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.4 Cg_endo -75.0 -32.33 5.46 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.515 1.797 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.471 ' CE ' HG22 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -85.84 -33.37 21.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -44.25 -53.02 6.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.553 ' CD1' ' N ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -46.35 -38.43 8.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.774 . . . . 0.0 110.976 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.553 ' N ' ' CD1' ' A' ' 45' ' ' PHE . 12.1 tp -84.92 -23.57 28.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.257 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.889 HD22 HG13 ' A' ' 29' ' ' ILE . 0.2 OUTLIER -76.79 -34.03 57.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -70.44 -36.04 73.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -69.19 -22.23 63.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.35 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.437 ' N ' ' HG3' ' A' ' 49' ' ' ARG . . . -64.52 -38.75 92.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.244 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.6 t -82.93 -32.8 9.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.448 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 37.4 tp60 -48.51 -48.16 38.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 110.253 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.463 1.102 . . . . 0.0 110.956 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.46 -57.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -31.65 72.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tp -66.19 -22.88 66.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.639 HD11 ' HD3' ' A' ' 49' ' ' ARG . 26.1 tp -69.53 -26.29 64.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.33 -62.55 1.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -32.81 41.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.852 HD13 ' HB2' ' A' ' 46' ' ' LEU . 6.0 mt -68.27 -34.5 76.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.371 1.044 . . . . 0.0 109.368 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.592 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -74.48 -52.81 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.578 ' N ' HD13 ' A' ' 10' ' ' LEU . 50.4 mtp180 -53.98 -55.45 27.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.232 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -50.65 -26.27 5.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.419 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 1.7 t -95.11 -23.5 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -75.19 -44.66 45.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -59.86 -18.96 48.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.419 ' NE ' ' HA ' ' A' ' 13' ' ' SER . 24.7 ptt180 -118.44 51.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.72 -20.97 4.47 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.6 -54.81 1.75 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.21 -118.88 1.06 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mp 57.21 25.77 11.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.358 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 21' ' ' ILE . 19.1 mm -150.67 -45.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 21' ' ' ILE . 11.7 t -36.86 -72.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -122.14 21.05 10.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.4 t -85.24 -82.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.95 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.715 HD11 ' HB2' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -77.78 -14.11 59.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.478 ' HA2' ' CD1' ' A' ' 29' ' ' ILE . . . -78.91 4.62 60.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.558 1.161 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.9 -32.18 73.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.62 65.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.719 HD13 HD12 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -80.72 -52.17 0.92 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -74.98 -2.53 12.65 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -95.88 19.3 11.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.225 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.5 m 60.73 35.39 19.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 53.25 41.15 32.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.472 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 2.9 mpp_? . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.715 ' HB2' HD11 ' A' ' 25' ' ' LEU . . . -130.8 6.16 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.523 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -80.33 -50.02 1.15 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.039 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.792 ' O ' HD11 ' A' ' 9' ' ' LEU . 18.3 Cg_endo -75.02 -34.12 4.04 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.521 1.8 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 1.3 mttt -85.6 -34.73 21.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -40.71 -54.02 3.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.489 ' HE1' HD13 ' A' ' 6' ' ' LEU . 57.2 t80 -44.8 -35.91 2.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 110.947 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.852 ' HB2' HD13 ' A' ' 9' ' ' LEU . 16.6 tp -82.8 -31.89 27.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.719 HD12 HD13 ' A' ' 29' ' ' ILE . 2.6 mm? -72.48 -33.17 66.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -63.99 -41.4 97.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.639 ' HD3' HD11 ' A' ' 6' ' ' LEU . 0.8 OUTLIER -63.51 -36.29 83.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 110.332 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.8 -31.85 66.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.419 HG21 ' HB ' ' A' ' 29' ' ' ILE . 53.8 t -81.4 -39.39 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -57.25 12.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 111.034 -179.99 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.46 -57.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 -179.929 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -31.65 72.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tp -66.19 -22.88 66.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.639 HD11 ' HD3' ' A' ' 49' ' ' ARG . 26.1 tp -69.53 -26.29 64.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.33 -62.55 1.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -32.81 41.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.852 HD13 ' HB2' ' A' ' 46' ' ' LEU . 6.0 mt -68.27 -34.5 76.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.371 1.044 . . . . 0.0 109.368 179.927 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.592 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -74.48 -52.81 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.578 ' N ' HD13 ' A' ' 10' ' ' LEU . 50.4 mtp180 -53.98 -55.45 27.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.232 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -50.65 -26.27 5.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.419 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 1.7 t -95.11 -23.5 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -75.19 -44.66 45.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -59.86 -18.96 48.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.419 ' NE ' ' HA ' ' A' ' 13' ' ' SER . 24.7 ptt180 -118.44 51.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.72 -20.97 4.47 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.6 -54.81 1.75 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.21 -118.88 1.06 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mp 57.21 25.77 11.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.358 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 21' ' ' ILE . 19.1 mm -150.67 -45.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 21' ' ' ILE . 11.7 t -36.86 -72.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -122.14 21.05 10.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.4 t -85.24 -82.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.95 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.715 HD11 ' HB2' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -77.78 -14.11 59.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.478 ' HA2' ' CD1' ' A' ' 29' ' ' ILE . . . -78.91 4.62 60.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.558 1.161 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.9 -32.18 73.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.62 65.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.719 HD13 HD12 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -80.72 -52.17 0.92 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -74.98 -2.53 12.65 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -95.88 19.3 11.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.225 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.5 m 60.73 35.39 19.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 53.25 41.15 32.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.472 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 2.9 mpp_? . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.715 ' HB2' HD11 ' A' ' 25' ' ' LEU . . . -130.8 6.16 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.523 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -80.33 -50.02 1.15 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.039 -179.968 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.792 ' O ' HD11 ' A' ' 9' ' ' LEU . 18.3 Cg_endo -75.02 -34.12 4.04 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.521 1.8 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 1.3 mttt -85.6 -34.73 21.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -40.71 -54.02 3.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.489 ' HE1' HD13 ' A' ' 6' ' ' LEU . 57.2 t80 -44.8 -35.91 2.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 110.947 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.852 ' HB2' HD13 ' A' ' 9' ' ' LEU . 16.6 tp -82.8 -31.89 27.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.719 HD12 HD13 ' A' ' 29' ' ' ILE . 2.6 mm? -72.48 -33.17 66.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -63.99 -41.4 97.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.639 ' HD3' HD11 ' A' ' 6' ' ' LEU . 0.8 OUTLIER -63.51 -36.29 83.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 110.332 179.953 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.8 -31.85 66.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.419 HG21 ' HB ' ' A' ' 29' ' ' ILE . 53.8 t -81.4 -39.39 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -57.25 12.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 111.034 -179.99 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.46 -57.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -31.65 72.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tp -66.19 -22.88 66.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.639 HD11 ' HD3' ' A' ' 49' ' ' ARG . 26.1 tp -69.53 -26.29 64.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.33 -62.55 1.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -32.81 41.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.852 HD13 ' HB2' ' A' ' 46' ' ' LEU . 6.0 mt -68.27 -34.5 76.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.371 1.044 . . . . 0.0 109.368 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.592 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -74.48 -52.81 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.578 ' N ' HD13 ' A' ' 10' ' ' LEU . 50.4 mtp180 -53.98 -55.45 27.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.232 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -50.65 -26.27 5.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.419 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 1.7 t -95.11 -23.5 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -75.19 -44.66 45.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -59.86 -18.96 48.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.419 ' NE ' ' HA ' ' A' ' 13' ' ' SER . 24.7 ptt180 -118.44 51.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.72 -20.97 4.47 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.6 -54.81 1.75 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.21 -118.88 1.06 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mp 57.21 25.77 11.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.358 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 21' ' ' ILE . 19.1 mm -150.67 -45.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 21' ' ' ILE . 11.7 t -36.86 -72.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -122.14 21.05 10.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.4 t -85.24 -82.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.95 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.715 HD11 ' HB2' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -77.78 -14.11 59.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.478 ' HA2' ' CD1' ' A' ' 29' ' ' ILE . . . -78.91 4.62 60.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.558 1.161 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.9 -32.18 73.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.62 65.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.719 HD13 HD12 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -80.72 -52.17 0.92 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -74.98 -2.53 12.65 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -95.88 19.3 11.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.225 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.5 m 60.73 35.39 19.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 53.25 41.15 32.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.472 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 2.9 mpp_? . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.715 ' HB2' HD11 ' A' ' 25' ' ' LEU . . . -130.8 6.16 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.523 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -80.33 -50.02 1.15 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.039 -179.968 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.792 ' O ' HD11 ' A' ' 9' ' ' LEU . 18.3 Cg_endo -75.02 -34.12 4.04 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.521 1.8 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 1.3 mttt -85.6 -34.73 21.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -40.71 -54.02 3.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.489 ' HE1' HD13 ' A' ' 6' ' ' LEU . 57.2 t80 -44.8 -35.91 2.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 110.947 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.852 ' HB2' HD13 ' A' ' 9' ' ' LEU . 16.6 tp -82.8 -31.89 27.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.719 HD12 HD13 ' A' ' 29' ' ' ILE . 2.6 mm? -72.48 -33.17 66.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -63.99 -41.4 97.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.639 ' HD3' HD11 ' A' ' 6' ' ' LEU . 0.8 OUTLIER -63.51 -36.29 83.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 110.332 179.953 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.8 -31.85 66.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.419 HG21 ' HB ' ' A' ' 29' ' ' ILE . 53.8 t -81.4 -39.39 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -57.25 12.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 111.034 -179.99 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.46 -57.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -31.65 72.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tp -66.19 -22.88 66.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.639 HD11 ' HD3' ' A' ' 49' ' ' ARG . 26.1 tp -69.53 -26.29 64.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.33 -62.55 1.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -32.81 41.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.852 HD13 ' HB2' ' A' ' 46' ' ' LEU . 6.0 mt -68.27 -34.5 76.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.371 1.044 . . . . 0.0 109.368 179.927 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.592 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -74.48 -52.81 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.578 ' N ' HD13 ' A' ' 10' ' ' LEU . 50.4 mtp180 -53.98 -55.45 27.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.232 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -50.65 -26.27 5.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.419 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 1.7 t -95.11 -23.5 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -75.19 -44.66 45.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -59.86 -18.96 48.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.419 ' NE ' ' HA ' ' A' ' 13' ' ' SER . 24.7 ptt180 -118.44 51.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.72 -20.97 4.47 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.6 -54.81 1.75 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.21 -118.88 1.06 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mp 57.21 25.77 11.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.358 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 21' ' ' ILE . 19.1 mm -150.67 -45.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 21' ' ' ILE . 11.7 t -36.86 -72.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -122.14 21.05 10.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.4 t -85.24 -82.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.95 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.715 HD11 ' HB2' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -77.78 -14.11 59.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.478 ' HA2' ' CD1' ' A' ' 29' ' ' ILE . . . -78.91 4.62 60.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.558 1.161 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.9 -32.18 73.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.62 65.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.719 HD13 HD12 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -80.72 -52.17 0.92 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -74.98 -2.53 12.65 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -95.88 19.3 11.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.225 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.5 m 60.73 35.39 19.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 53.25 41.15 32.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.472 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 2.9 mpp_? . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.715 ' HB2' HD11 ' A' ' 25' ' ' LEU . . . -130.8 6.16 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.523 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -80.33 -50.02 1.15 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.039 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.792 ' O ' HD11 ' A' ' 9' ' ' LEU . 18.3 Cg_endo -75.02 -34.12 4.04 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.521 1.8 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 1.3 mttt -85.6 -34.73 21.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -40.71 -54.02 3.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.489 ' HE1' HD13 ' A' ' 6' ' ' LEU . 57.2 t80 -44.8 -35.91 2.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 110.947 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.852 ' HB2' HD13 ' A' ' 9' ' ' LEU . 16.6 tp -82.8 -31.89 27.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.719 HD12 HD13 ' A' ' 29' ' ' ILE . 2.6 mm? -72.48 -33.17 66.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -63.99 -41.4 97.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.639 ' HD3' HD11 ' A' ' 6' ' ' LEU . 0.8 OUTLIER -63.51 -36.29 83.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 110.332 179.953 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.8 -31.85 66.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.419 HG21 ' HB ' ' A' ' 29' ' ' ILE . 53.8 t -81.4 -39.39 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -57.25 12.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 111.034 -179.99 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.46 -57.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -31.65 72.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tp -66.19 -22.88 66.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.639 HD11 ' HD3' ' A' ' 49' ' ' ARG . 26.1 tp -69.53 -26.29 64.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.33 -62.55 1.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -32.81 41.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.852 HD13 ' HB2' ' A' ' 46' ' ' LEU . 6.0 mt -68.27 -34.5 76.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.371 1.044 . . . . 0.0 109.368 179.927 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.592 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -74.48 -52.81 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.578 ' N ' HD13 ' A' ' 10' ' ' LEU . 50.4 mtp180 -53.98 -55.45 27.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.232 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -50.65 -26.27 5.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.419 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 1.7 t -95.11 -23.5 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -75.19 -44.66 45.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -59.86 -18.96 48.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.419 ' NE ' ' HA ' ' A' ' 13' ' ' SER . 24.7 ptt180 -118.44 51.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.72 -20.97 4.47 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.6 -54.81 1.75 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.21 -118.88 1.06 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mp 57.21 25.77 11.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.358 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 21' ' ' ILE . 19.1 mm -150.67 -45.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 21' ' ' ILE . 11.7 t -36.86 -72.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -122.14 21.05 10.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.4 t -85.24 -82.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.95 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.715 HD11 ' HB2' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -77.78 -14.11 59.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.478 ' HA2' ' CD1' ' A' ' 29' ' ' ILE . . . -78.91 4.62 60.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.558 1.161 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.9 -32.18 73.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.62 65.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.719 HD13 HD12 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -80.72 -52.17 0.92 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -74.98 -2.53 12.65 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -95.88 19.3 11.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.225 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.5 m 60.73 35.39 19.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 53.25 41.15 32.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.472 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 2.9 mpp_? . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.715 ' HB2' HD11 ' A' ' 25' ' ' LEU . . . -130.8 6.16 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.523 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -80.33 -50.02 1.15 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.039 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.792 ' O ' HD11 ' A' ' 9' ' ' LEU . 18.3 Cg_endo -75.02 -34.12 4.04 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.521 1.8 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 1.3 mttt -85.6 -34.73 21.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -40.71 -54.02 3.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.489 ' HE1' HD13 ' A' ' 6' ' ' LEU . 57.2 t80 -44.8 -35.91 2.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 110.947 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.852 ' HB2' HD13 ' A' ' 9' ' ' LEU . 16.6 tp -82.8 -31.89 27.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.719 HD12 HD13 ' A' ' 29' ' ' ILE . 2.6 mm? -72.48 -33.17 66.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -63.99 -41.4 97.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.639 ' HD3' HD11 ' A' ' 6' ' ' LEU . 0.8 OUTLIER -63.51 -36.29 83.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 110.332 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.8 -31.85 66.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.419 HG21 ' HB ' ' A' ' 29' ' ' ILE . 53.8 t -81.4 -39.39 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -57.25 12.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 111.034 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.56 122.68 4.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.989 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.456 ' CB ' ' CZ ' ' A' ' 3' ' ' ARG . 7.7 ttp-105 70.49 -62.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.263 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.442 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -62.41 -20.02 64.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.667 ' O ' HD23 ' A' ' 9' ' ' LEU . 11.0 tp -71.58 -41.72 68.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.54 ' CB ' ' CE1' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -53.16 -23.97 9.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . -63.24 -63.25 1.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -53.71 -30.95 46.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.028 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.667 HD23 ' O ' ' A' ' 5' ' ' LEU . 4.1 mm? -67.15 -36.26 81.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.791 HD13 ' C ' ' A' ' 10' ' ' LEU . 1.2 tm? -85.39 -51.68 6.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.479 ' CD ' ' HA ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -56.39 -25.14 48.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.497 ' CB ' ' O ' ' A' ' 8' ' ' SER . 2.5 tp-100 -84.45 -35.58 22.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.9 m -80.22 -18.6 49.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.979 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.38 -50.31 13.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -56.87 -19.64 18.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -99.48 6.91 45.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.331 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.29 -44.49 3.34 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 147.1 46.6 0.03 OUTLIER Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -124.94 -171.33 13.28 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.505 ' O ' ' CG1' ' A' ' 21' ' ' ILE . 0.6 OUTLIER 54.82 42.08 31.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.763 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.505 ' CG1' ' O ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER 166.84 -31.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.3 p -59.17 -54.94 41.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 27' ' ' ASN . 1.1 tpm_? -110.55 -36.35 5.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.72 -88.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.005 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.637 HD11 ' CB ' ' A' ' 36' ' ' ALA . 0.4 OUTLIER -63.55 -15.37 57.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 109.253 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -82.2 -3.59 90.51 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 23' ' ' ARG . 9.0 t30 -69.58 -17.65 63.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 0.752 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 33' ' ' ALA . 2.3 m -150.82 52.55 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.916 HG22 ' HD3' ' A' ' 30' ' ' PRO . 4.5 tt -75.31 -35.0 1.75 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.093 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.916 ' HD3' HG22 ' A' ' 29' ' ' ILE . 18.3 Cg_endo -74.98 -25.07 12.25 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.452 1.764 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -85.53 10.26 13.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.57 34.12 0.78 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.993 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' SER . . . 63.68 28.16 14.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.02 -27.73 14.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.004 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.68 53.86 2.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.637 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -158.36 -95.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.8 m 72.77 -68.63 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.985 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m -39.91 -57.74 1.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.055 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -132.7 71.54 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.322 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.464 ' HB2' ' CB ' ' A' ' 36' ' ' ALA . . . -121.02 -1.33 9.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.477 ' CB ' ' HD3' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -76.49 -55.0 1.72 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.992 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.477 ' HD3' ' CB ' ' A' ' 41' ' ' SER . 18.2 Cg_endo -75.04 -31.89 5.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.434 1.755 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.571 ' O ' HD23 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -85.37 -23.32 28.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 48' ' ' ASN . . . -57.21 -56.9 22.58 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.54 ' CE1' ' CB ' ' A' ' 6' ' ' LEU . 7.1 t80 -50.78 -36.31 36.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.474 HD23 HG21 ' A' ' 21' ' ' ILE . 8.9 tp -85.19 -20.98 29.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.571 HD23 ' O ' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -84.09 -24.02 30.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 44' ' ' GLY . 31.8 t-20 -79.1 -31.83 44.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -29.68 64.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.524 ' HB3' HD11 ' A' ' 29' ' ' ILE . . . -64.43 -32.66 74.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.5 t -85.06 -28.55 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -64.4 -56.8 11.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.441 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 1.4 p 163.08 -174.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 110.014 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.543 ' HA ' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -38.92 -61.01 0.79 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.436 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -38.95 -39.21 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.282 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.489 ' CD1' HD23 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -62.57 -62.16 1.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.543 HD23 ' HA ' ' A' ' 3' ' ' ARG . 0.3 OUTLIER -48.87 -24.31 1.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . -79.46 -55.16 5.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.404 1.065 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.28 -25.71 67.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.062 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.489 HD23 ' CD1' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -69.23 -32.08 71.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.744 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -78.43 -47.73 16.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.694 ' N ' HD13 ' A' ' 10' ' ' LEU . 15.2 mtp-105 -53.71 -53.48 51.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -54.17 -32.38 55.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.275 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.496 ' OG ' ' CG2' ' A' ' 21' ' ' ILE . 0.7 OUTLIER -79.04 -41.2 29.42 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.52 1.137 . . . . 0.0 110.005 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.07 -49.93 72.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -68.39 -13.65 62.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.319 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -28.32 64.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 79.12 -52.29 4.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.482 1.114 . . . . 0.0 111.088 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.87 -61.09 4.53 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.41 82.15 1.32 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.496 ' O ' HD12 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -90.33 41.35 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.772 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.564 ' CD1' HD23 ' A' ' 46' ' ' LEU . 10.0 tt -158.03 -45.01 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 t -53.77 -24.21 14.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.04 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 27' ' ' ASN . 5.9 ptm180 -123.46 -41.33 2.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.401 ' N ' ' HG3' ' A' ' 23' ' ' ARG . 0.5 OUTLIER -50.13 -92.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.984 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.64 -14.19 57.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.77 -20.95 69.8 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.563 1.164 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 23' ' ' ARG . 32.9 m-20 -89.98 -16.4 29.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.766 . . . . 0.0 109.328 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 33' ' ' ALA . 2.5 m -96.79 -2.12 44.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.027 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.793 ' CG1' HD12 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -64.54 -51.18 61.34 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -75.02 -13.48 21.35 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 111.022 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.0 tttp -87.12 10.98 15.02 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.86 26.61 1.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.979 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.538 ' HB1' ' HB3' ' A' ' 36' ' ' ALA . . . 66.1 27.88 10.4 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 33' ' ' ALA . 18.2 t -39.58 -38.5 0.61 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -117.08 71.67 0.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.366 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.563 ' HA ' ' HB2' ' A' ' 40' ' ' ALA . . . -142.27 84.03 1.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.453 ' O ' ' CB ' ' A' ' 38' ' ' SER . 0.2 OUTLIER -152.93 116.07 4.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.029 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 37' ' ' SER . 1.2 t 82.15 -56.18 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.998 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.461 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -93.94 23.59 4.79 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.428 1.08 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.563 ' HB2' ' HA ' ' A' ' 36' ' ' ALA . . . -132.66 7.43 4.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.331 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.506 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.6 OUTLIER -81.0 -51.71 0.9 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.031 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.2 Cg_endo -74.97 -33.42 4.64 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.537 1.809 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.461 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -85.46 -34.66 21.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -40.06 -61.72 1.64 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.488 ' CE2' ' HB3' ' A' ' 6' ' ' LEU . 2.1 t80 -46.34 -32.47 3.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 0.74 . . . . 0.0 110.97 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.564 HD23 ' CD1' ' A' ' 21' ' ' ILE . 13.3 tp -85.13 -30.84 23.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.793 HD12 ' CG1' ' A' ' 29' ' ' ILE . 2.9 mm? -74.22 -33.85 63.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -66.0 -35.09 79.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -36.89 78.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.62 -29.3 70.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.608 ' CG2' HD12 ' A' ' 29' ' ' ILE . 20.7 t -85.1 -25.34 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -66.57 -49.89 64.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.269 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 m -140.5 118.99 12.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.568 1.167 . . . . 0.0 109.903 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.66 -53.29 3.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.18 -34.02 55.13 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.426 1.079 . . . . 0.0 110.336 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mt -81.29 -28.32 34.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.879 HD12 HD12 ' A' ' 46' ' ' LEU . 9.0 tp -71.81 -27.09 62.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 10' ' ' LEU . . . -72.9 -61.47 1.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.6 t -52.02 -24.54 6.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.974 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.832 ' HB2' HD13 ' A' ' 46' ' ' LEU . 39.7 mt -78.46 -28.64 46.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.794 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -84.35 -52.03 6.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.653 ' N ' HD13 ' A' ' 10' ' ' LEU . 16.5 mtm180 -51.6 -33.72 34.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -74.09 -40.07 62.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.618 1.199 . . . . 0.0 110.265 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.4 p -76.14 -18.53 59.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 110.016 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.6 -46.78 11.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -68.65 -17.81 64.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -67.49 -25.23 65.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 16' ' ' ARG . . . 37.71 55.81 1.71 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.48 1.112 . . . . 0.0 110.965 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.51 45.75 0.83 Allowed Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.13 146.63 48.18 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.03 -56.13 26.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.335 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.777 ' C ' HD12 ' A' ' 21' ' ' ILE . 1.6 pp -69.38 -8.59 10.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.36 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.56 ' N ' HD12 ' A' ' 21' ' ' ILE . 2.3 t -75.82 -29.96 58.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.027 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 27' ' ' ASN . 8.1 ptm180 -118.02 -35.31 3.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.386 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.9 m -72.17 -45.76 59.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.945 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.914 HD13 ' HB3' ' A' ' 32' ' ' SER . 0.2 OUTLIER -76.3 -10.53 59.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.413 ' C ' ' N ' ' A' ' 28' ' ' SER . . . -101.69 -32.32 5.14 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.397 1.06 . . . . 0.0 110.995 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 23' ' ' ARG . 1.4 m120 -44.82 -26.9 0.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 0.808 . . . . 0.0 109.248 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.413 ' N ' ' C ' ' A' ' 26' ' ' GLY . 0.2 OUTLIER -159.77 61.13 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 109.955 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.779 ' CG1' HD12 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -40.21 -53.72 5.03 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.4 Cg_endo -74.98 54.26 3.58 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.14 -55.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.914 ' HB3' HD13 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -55.69 -51.19 68.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.054 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.32 -8.5 46.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.4 -7.15 26.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.952 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -155.03 56.97 0.66 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.314 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.747 ' CB ' ' HB3' ' A' ' 40' ' ' ALA . . . -105.52 -74.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 36' ' ' ALA . 79.0 p 54.1 80.63 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.019 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.7 t 177.38 -56.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.029 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.21 30.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.388 1.055 . . . . 0.0 110.344 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.747 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . . . -113.54 4.83 16.35 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.514 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -77.7 -51.13 1.87 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 110.017 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.5 Cg_endo -75.06 -33.32 4.61 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.437 1.756 . . . . 0.0 111.01 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.725 ' HD2' HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -85.57 -30.5 23.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -46.64 -53.92 9.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -43.69 -35.8 1.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 0.746 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.879 HD12 HD12 ' A' ' 6' ' ' LEU . 4.7 tp -76.43 -38.15 55.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.779 HD12 ' CG1' ' A' ' 29' ' ' ILE . 0.7 OUTLIER -59.14 -40.41 85.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.02 -39.32 93.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -19.44 64.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.278 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 47' ' ' LEU . . . -69.94 -35.88 74.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.9 t -85.13 -28.75 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.342 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -61.19 -47.73 84.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.242 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.024 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.643 ' N ' ' CD2' ' A' ' 45' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -160.44 156.91 26.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.033 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -46.4 -65.84 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.338 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.785 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 1.6 mpt_? -50.98 -37.17 43.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.522 ' HG ' ' HB3' ' A' ' 1' ' ' ALA . 0.2 OUTLIER -54.72 -70.0 0.11 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.508 HD12 HD12 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -41.93 -28.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.785 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . -66.49 -62.48 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.495 ' O ' ' CB ' ' A' ' 12' ' ' GLN . 16.9 t -52.21 -32.37 36.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 110.048 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 9' ' ' LEU . 8.6 mt -66.9 -34.94 78.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.76 HD13 ' N ' ' A' ' 11' ' ' ARG . 0.2 OUTLIER -85.41 -50.24 7.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.437 1.086 . . . . 0.0 109.378 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.76 ' N ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -59.16 -24.83 63.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 110.229 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.495 ' CB ' ' O ' ' A' ' 8' ' ' SER . 2.1 tp60 -85.03 -33.99 22.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.8 p -78.74 -41.65 30.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.0 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.92 -36.13 62.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.246 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -81.46 -29.47 33.74 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.382 1.051 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -155.77 -92.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.41 1.069 . . . . 0.0 110.408 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 19' ' ' GLY . . . 66.5 8.55 46.43 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.449 1.093 . . . . 0.0 111.018 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' GLY . . . 37.75 30.48 0.07 OUTLIER Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 17' ' ' GLY . . . 39.65 55.02 2.75 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.61 -64.29 1.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.253 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.53 ' C ' HD12 ' A' ' 21' ' ' ILE . 1.6 pp -66.41 -14.54 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.13 -17.17 16.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.429 1.08 . . . . 0.0 109.941 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -141.1 -45.8 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 110.335 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.6 m -51.55 -94.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 0.0 109.987 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.815 HD11 ' HB3' ' A' ' 36' ' ' ALA . 2.4 mm? -84.88 52.27 2.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.432 ' C ' ' N ' ' A' ' 28' ' ' SER . . . -150.74 -44.28 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.135 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -42.11 -28.35 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.425 0.721 . . . . 0.0 109.343 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.432 ' N ' ' C ' ' A' ' 26' ' ' GLY . 0.5 OUTLIER -161.24 68.14 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.865 HD11 HD12 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -45.57 -49.89 33.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -75.03 55.74 4.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.458 1.768 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.429 ' CB ' ' O ' ' A' ' 30' ' ' PRO . 0.2 OUTLIER 169.07 -61.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.588 1.18 . . . . 0.0 109.201 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.2 -35.41 17.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.006 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.04 -21.28 11.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.229 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.9 m -116.24 24.07 11.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.978 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -158.01 50.05 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.27 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.815 ' HB3' HD11 ' A' ' 25' ' ' LEU . . . -146.42 -100.3 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 75.25 -171.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.005 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 78.36 -64.88 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.029 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -131.78 31.12 4.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 44' ' ' GLY . . . -117.57 0.45 12.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.35 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.513 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.5 OUTLIER -73.08 -51.46 6.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.052 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.1 Cg_endo -75.08 -33.16 4.71 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.5 1.789 . . . . 0.0 110.946 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.519 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -85.21 -25.41 27.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -54.61 -52.6 44.35 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.558 1.161 . . . . 0.0 111.026 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.643 ' CD2' ' N ' ' A' ' 1' ' ' ALA . 5.2 t80 -44.72 -36.6 3.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.606 HD11 ' HB2' ' A' ' 10' ' ' LEU . 2.7 tt -79.2 -34.26 43.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.603 1.189 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.865 HD12 HD11 ' A' ' 29' ' ' ILE . 1.7 mm? -71.11 -40.37 71.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -56.58 -37.57 70.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -68.63 -38.99 80.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 110.221 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.92 -27.62 66.91 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.677 HG22 HG21 ' A' ' 29' ' ' ILE . 11.2 t -77.76 -48.17 24.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.102 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -40.41 -55.15 2.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.534 1.147 . . . . 0.0 111.017 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 45' ' ' PHE . 3.4 m -179.73 114.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.09 . . . . 0.0 110.073 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -139.19 -47.36 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 -55.44 -37.55 67.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.57 1.169 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.519 ' H ' HD23 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -79.8 -24.92 41.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 0.0 109.278 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.553 HD12 ' CE2' ' A' ' 45' ' ' PHE . 4.5 tp -72.13 -26.78 62.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.405 1.065 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.58 -63.19 1.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.138 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.9 m -51.15 -34.38 30.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.057 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.582 HD11 ' O ' ' A' ' 42' ' ' PRO . 26.5 mt -71.12 -33.13 69.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.36 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.588 HD22 ' O ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -74.39 -53.04 10.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.582 ' N ' HD13 ' A' ' 10' ' ' LEU . 14.4 mtp-105 -45.76 -51.19 13.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 -58.28 -34.89 71.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.4 p -75.62 -23.57 56.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.06 -50.95 9.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.095 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.441 ' C ' ' CG ' ' A' ' 16' ' ' ARG . 1.2 pt20 -72.54 -29.61 63.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.406 1.066 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.441 ' CG ' ' C ' ' A' ' 15' ' ' GLN . 0.7 OUTLIER 38.83 85.06 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.34 50.13 4.15 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.411 1.07 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.69 40.59 0.52 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 38.54 81.52 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.27 -65.47 1.01 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 0.733 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.408 HD13 ' N ' ' A' ' 22' ' ' SER . 0.1 OUTLIER -75.72 -5.68 7.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.143 . . . . 0.0 109.33 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.408 ' N ' HD13 ' A' ' 21' ' ' ILE . 0.4 OUTLIER -39.23 -85.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.992 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -142.55 24.3 1.91 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.7 -81.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.972 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' A' ' 35' ' ' ARG . 1.0 OUTLIER -74.94 -12.0 60.25 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.615 1.197 . . . . 0.0 109.258 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.409 ' O ' ' CD ' ' A' ' 30' ' ' PRO . . . -70.87 -4.34 54.16 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.438 1.086 . . . . 0.0 111.004 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.401 ' C ' ' HD2' ' A' ' 30' ' ' PRO . 1.1 m-20 -87.79 -9.8 52.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.562 0.801 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 33' ' ' ALA . 80.2 p -90.61 -47.73 7.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.606 1.191 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.693 HD11 ' HA ' ' A' ' 48' ' ' ASN . 0.8 OUTLIER -40.7 -51.5 6.86 Favored Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.547 1.155 . . . . 0.0 109.324 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.4 Cg_endo -74.99 -26.09 11.27 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.495 1.787 . . . . 0.0 110.97 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 28' ' ' SER . 72.0 mttt -92.36 24.61 3.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 63.29 53.73 2.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.021 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 28' ' ' SER . . . 46.53 29.78 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -38.79 -53.03 1.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.007 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.496 ' O ' ' CD1' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -101.01 91.35 4.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.572 ' HA ' ' HB3' ' A' ' 40' ' ' ALA . . . -142.03 83.98 1.86 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 61.9 p -168.91 -41.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.576 1.172 . . . . 0.0 110.027 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.89 79.62 9.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 59.22 38.8 23.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.572 ' HB3' ' HA ' ' A' ' 36' ' ' ALA . . . -118.51 1.19 11.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.494 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -74.45 -52.37 3.92 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.413 1.071 . . . . 0.0 109.966 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.582 ' O ' HD11 ' A' ' 9' ' ' LEU . 18.4 Cg_endo -74.92 -30.65 7.08 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.389 1.731 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.865 ' CE ' HD23 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -85.2 -32.58 22.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.147 . . . . 0.0 109.36 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 48' ' ' ASN . . . -55.93 -40.54 81.92 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.405 1.066 . . . . 0.0 111.039 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.553 ' CE2' HD12 ' A' ' 6' ' ' LEU . 5.8 t80 -54.04 -31.81 52.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 0.727 . . . . 0.0 110.982 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.581 HD22 ' HB3' ' A' ' 9' ' ' LEU . 11.0 tp -85.34 -33.91 21.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.865 HD23 ' CE ' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -72.71 -31.09 64.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.693 ' HA ' HD11 ' A' ' 29' ' ' ILE . 3.0 t-20 -68.76 -34.36 75.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.73 -31.01 66.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.427 1.08 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.55 -33.38 74.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.528 HG12 ' O ' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -84.98 -28.58 6.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.352 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.98 -51.74 68.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.93 105.8 2.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.978 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.15 -19.16 20.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 110.257 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -84.94 -34.8 22.41 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.536 1.147 . . . . 0.0 110.332 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.633 ' O ' HD23 ' A' ' 9' ' ' LEU . 1.6 mt -81.75 -24.63 35.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.757 ' O ' HD12 ' A' ' 6' ' ' LEU . 5.1 tp -73.3 -24.97 60.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.354 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.6 -58.81 3.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.379 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.481 ' HA ' ' CD ' ' A' ' 11' ' ' ARG . 22.3 t -52.73 -30.85 34.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.021 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.633 HD23 ' O ' ' A' ' 5' ' ' LEU . 2.3 mm? -67.67 -35.75 79.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.633 HD23 ' N ' ' A' ' 11' ' ' ARG . 0.8 OUTLIER -85.38 -50.94 6.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.633 ' N ' HD23 ' A' ' 10' ' ' LEU . 2.4 ptm180 -57.5 -16.74 10.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.292 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.17 -43.61 13.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.14 -29.74 57.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.38 -40.9 94.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -74.6 -9.0 58.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.259 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -138.53 70.86 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.244 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -40.69 -48.19 3.99 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -40.81 -84.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 79.67 119.29 0.32 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.73 -33.68 18.62 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.44 0.729 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.543 HD13 ' HG3' ' A' ' 43' ' ' LYS . 2.4 mt -80.24 -14.25 13.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.98 -16.92 57.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.92 -38.01 3.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 110.247 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.7 m -64.59 -49.39 71.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.595 1.184 . . . . 0.0 110.045 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.711 HD11 ' HB1' ' A' ' 40' ' ' ALA . 6.2 mt -85.07 -21.83 29.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.39 -23.15 68.18 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.563 1.164 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.06 -18.36 13.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.306 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 p 174.69 68.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.966 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.712 HD11 HD13 ' A' ' 47' ' ' LEU . 1.1 mt -50.3 -52.43 54.34 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.3 Cg_endo -75.04 63.47 6.03 Favored 'Trans proline' 0 C--N 1.358 1.072 0 O-C-N 124.533 1.807 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 30' ' ' PRO . 0.2 OUTLIER 164.29 -57.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.447 ' HB3' HD23 ' A' ' 25' ' ' LEU . 58.0 m -62.95 -43.48 98.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.955 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.78 -15.18 52.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.85 34.12 2.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.084 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.15 -44.61 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.435 ' O ' ' CB ' ' A' ' 37' ' ' SER . . . -47.81 -91.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.389 1.056 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 38' ' ' SER . 0.1 OUTLIER 80.46 151.9 0.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 0.0 109.931 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 37' ' ' SER . 0.2 OUTLIER 83.36 -70.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.996 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.406 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 5.3 mtt-85 -85.34 -32.99 22.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.711 ' HB1' HD11 ' A' ' 25' ' ' LEU . . . -93.5 9.32 37.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.591 1.182 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.494 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.4 OUTLIER -77.92 -51.89 1.67 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.3 Cg_endo -75.02 -34.25 3.95 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.494 1.786 . . . . 0.0 110.944 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.543 ' HG3' HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -85.24 -27.05 26.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -48.54 -58.81 7.07 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.464 1.102 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.529 ' HE1' HD13 ' A' ' 6' ' ' LEU . 1.6 t80 -44.24 -33.66 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 0.8 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.522 HD22 ' HB3' ' A' ' 9' ' ' LEU . 36.5 tp -85.16 -33.86 22.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.612 1.195 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.712 HD13 HD11 ' A' ' 29' ' ' ILE . 0.7 OUTLIER -72.09 -24.03 61.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.465 ' O ' HG12 ' A' ' 51' ' ' VAL . 19.1 t-20 -75.82 -39.54 56.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -23.97 64.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.239 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.2 -34.54 75.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.36 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.465 HG12 ' O ' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -84.07 -26.49 7.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -55.24 33.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.9 p -106.46 135.13 48.51 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.459 1.1 . . . . 0.0 109.989 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 75.51 -61.61 0.47 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 110.266 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.514 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 6.6 ttt85 -51.44 -36.02 42.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.411 ' C ' ' N ' ' A' ' 7' ' ' ALA . 0.8 OUTLIER -57.48 -75.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.361 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.526 ' O ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -46.4 -26.01 0.76 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . -70.98 -63.12 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.3 t -61.91 -29.81 70.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.074 . . . . 0.0 110.015 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.8 tp -69.35 -25.91 64.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.892 HD13 ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -83.38 -40.53 19.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.892 ' N ' HD13 ' A' ' 10' ' ' LEU . 5.9 mtp180 -61.3 -49.61 76.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.3 tp60 -59.78 -28.44 67.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 110.253 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -83.8 -55.11 4.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.051 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.56 -34.06 1.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -85.89 -32.88 21.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 13' ' ' SER . 1.7 mpt_? -163.77 -98.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 48.4 22.49 2.51 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' LEU . . . 37.84 84.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.04 69.46 0.13 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 18' ' ' GLY . 0.2 OUTLIER -108.48 -17.85 13.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.77 . . . . 0.0 109.246 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.759 HG23 HD23 ' A' ' 25' ' ' LEU . 4.4 mp -100.3 -20.01 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.85 -20.61 37.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.965 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -111.59 -43.94 3.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.575 1.172 . . . . 0.0 110.31 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.16 -78.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.006 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.759 HD23 HG23 ' A' ' 21' ' ' ILE . 3.8 mm? -58.7 -23.98 60.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.24 -39.4 92.42 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.556 1.16 . . . . 0.0 111.034 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -77.94 -12.85 60.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 0.783 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.08 -13.18 22.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.01 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.666 HD11 ' O ' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -56.01 -51.9 76.86 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -74.98 -12.52 21.56 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.777 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -85.18 9.74 14.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.83 36.32 2.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.995 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 34' ' ' SER . . . 65.72 43.38 3.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 109.244 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.475 ' OG ' ' N ' ' A' ' 35' ' ' ARG . 95.3 p -37.13 -85.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.581 1.175 . . . . 0.0 110.01 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.475 ' N ' ' OG ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -64.84 -78.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.642 ' HA ' HD11 ' A' ' 25' ' ' LEU . . . 40.44 77.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.57 164.43 10.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 110.051 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 77.64 -71.2 0.11 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.168 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -132.51 44.95 2.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 44' ' ' GLY . . . -117.37 -0.3 12.02 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.489 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -72.45 -52.5 6.65 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 0.0 109.949 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.2 Cg_endo -75.01 -33.53 4.49 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.454 1.765 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.555 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -85.48 -22.11 28.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.209 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -55.72 -57.34 19.31 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.589 1.181 . . . . 0.0 111.023 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.48 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 2.2 t80 -48.22 -37.91 17.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.6 tp -84.73 -22.24 29.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.666 ' O ' HD11 ' A' ' 29' ' ' ILE . 0.4 OUTLIER -81.42 -23.75 37.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.474 ' O ' HG12 ' A' ' 51' ' ' VAL . 2.3 t30 -84.97 -26.91 26.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -76.86 -20.1 56.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.432 ' N ' ' HG3' ' A' ' 49' ' ' ARG . . . -73.74 -30.77 63.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.474 HG12 ' O ' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -84.97 -31.14 6.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.417 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 31.4 tp60 -67.09 -55.51 13.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 . . . . . 0 C--N 1.326 -0.428 0 O-C-N 124.402 1.064 . . . . 0.0 111.017 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 2.3 m -96.33 121.35 38.03 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 110.003 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 2' ' ' SER . 0.0 OUTLIER 160.83 -74.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.468 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 1.3 mpt_? -84.81 -15.18 45.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 tp -66.08 -34.2 77.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.259 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.1 tp -64.15 -23.15 67.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . -69.16 -63.59 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.488 ' HA ' ' CD ' ' A' ' 11' ' ' ARG . 3.1 m -55.19 -31.47 61.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.038 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.816 HD11 ' HA ' ' A' ' 43' ' ' LYS . 2.1 mm? -67.43 -34.88 78.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.357 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.735 HD23 ' C ' ' A' ' 10' ' ' LEU . 1.4 tt -85.48 -47.96 9.43 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.475 1.109 . . . . 0.0 109.354 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.488 ' CD ' ' HA ' ' A' ' 8' ' ' SER . 2.0 ptm180 -62.65 -14.6 45.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.422 ' CB ' ' O ' ' A' ' 8' ' ' SER . 1.9 tm0? -85.14 -42.35 14.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.255 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.0 p -76.34 -36.92 57.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.033 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.36 -42.17 86.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.588 1.18 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 16' ' ' ARG . 6.0 pt20 -72.81 -28.36 62.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.384 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER 37.45 41.8 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -48.13 -72.75 0.4 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.575 1.172 . . . . 0.0 111.032 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -93.89 -77.34 1.37 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 152.67 69.64 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.0 tp -71.1 -38.32 72.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.468 HD12 ' HE3' ' A' ' 43' ' ' LYS . 14.4 tt -100.97 5.82 10.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 21' ' ' ILE . 31.3 t -39.1 -73.82 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -155.54 25.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.219 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.12 -85.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.042 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.809 HD13 ' HB2' ' A' ' 32' ' ' SER . 0.3 OUTLIER -77.83 -27.79 50.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.448 ' C ' ' N ' ' A' ' 28' ' ' SER . . . -66.92 -52.98 29.44 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.469 1.105 . . . . 0.0 110.995 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 26' ' ' GLY . 10.1 t30 -40.0 -29.88 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 0.727 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -147.81 62.67 1.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 110.032 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.75 ' CG1' HD22 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -43.87 -50.52 19.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.3 Cg_endo -75.04 -69.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.491 1.784 . . . . 0.0 110.975 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.425 ' CB ' ' OG ' ' A' ' 28' ' ' SER . 0.7 OUTLIER -39.04 -49.01 1.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.809 ' HB2' HD13 ' A' ' 25' ' ' LEU . 13.2 m -67.19 -43.27 82.55 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.48 1.113 . . . . 0.0 110.054 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.65 ' HB2' ' O ' ' A' ' 29' ' ' ILE . . . -59.47 -16.28 23.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.74 -4.79 32.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 109.982 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -163.76 55.32 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.501 ' HB1' HD21 ' A' ' 25' ' ' LEU . . . -124.22 -98.2 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.518 ' H ' ' HB3' ' A' ' 40' ' ' ALA . 0.5 OUTLIER 67.57 -174.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.014 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.55 -62.01 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 110.01 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.6 mtm180 -131.1 19.12 4.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.346 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.518 ' HB3' ' H ' ' A' ' 37' ' ' SER . . . -107.64 -9.28 15.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.537 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -75.13 -49.65 4.05 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.023 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.4 Cg_endo -74.97 -33.05 4.91 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.816 ' HA ' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -85.63 -33.8 21.54 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -43.52 -52.95 6.17 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -44.95 -39.02 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.756 . . . . 0.0 110.988 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.414 ' CB ' HD12 ' A' ' 9' ' ' LEU . 22.5 tp -77.32 -31.94 54.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.805 HD11 ' HB3' ' A' ' 25' ' ' LEU . 10.2 mt -71.6 -45.02 63.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.481 ' O ' HG12 ' A' ' 51' ' ' VAL . 7.9 m-80 -51.03 -39.72 56.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -26.95 57.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.335 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.87 -31.33 66.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.481 HG12 ' O ' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -85.03 -23.04 7.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.89 -54.97 22.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.353 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.478 ' O ' ' CE2' ' A' ' 45' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 m 42.37 71.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.017 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -76.94 -57.97 3.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.586 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 7.4 mtt180 -54.45 -34.21 61.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 tp -58.15 -52.0 67.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.8 tp -41.97 -34.47 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . -60.83 -64.38 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.093 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.501 ' O ' ' CG ' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -53.81 -31.7 50.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.082 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.635 HD21 ' O ' ' A' ' 42' ' ' PRO . 5.1 mp -61.87 -39.0 90.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.757 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -72.61 -50.23 26.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.553 ' N ' HD13 ' A' ' 10' ' ' LEU . 63.9 mtp180 -55.38 -33.52 63.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.275 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.501 ' CG ' ' O ' ' A' ' 8' ' ' SER . 3.3 mm100 -67.54 -42.75 82.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.175 . . . . 0.0 110.351 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.2 p -78.77 -19.81 51.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 109.996 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.46 -50.0 10.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.353 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -63.41 -12.11 28.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.33 77.74 1.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.14 -37.35 79.59 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.67 -59.0 1.38 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.44 -99.84 1.9 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mp 62.25 14.46 6.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.481 HG22 HD21 ' A' ' 47' ' ' LEU . 8.5 mm -135.42 -46.55 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.0 109.245 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.87 -16.67 61.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.372 1.045 . . . . 0.0 109.966 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.15 -33.57 6.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.86 -39.76 34.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.033 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.723 HD21 ' HB1' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -85.09 -11.58 54.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.475 ' HA2' HD12 ' A' ' 29' ' ' ILE . . . -77.33 -11.84 85.13 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.54 -17.92 16.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.482 ' CB ' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -170.17 68.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.739 HD11 ' CD1' ' A' ' 47' ' ' LEU . 1.5 mt -76.94 -50.95 2.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.237 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -75.1 -12.21 21.31 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 0.0 110.967 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.482 ' HB2' ' CB ' ' A' ' 28' ' ' SER . 26.7 mttt -85.2 9.62 14.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.59 32.5 3.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 110.091 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.696 ' HB1' ' HB3' ' A' ' 36' ' ' ALA . . . 58.24 35.41 24.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 p -52.92 -20.33 3.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.017 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.09 57.57 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 110.261 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.723 ' HB1' HD21 ' A' ' 25' ' ' LEU . . . -145.01 -98.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 38' ' ' SER . 0.6 OUTLIER 66.14 171.1 0.23 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.023 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 37' ' ' SER . 0.7 OUTLIER 85.28 -53.62 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.968 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.65 57.56 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.262 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 44' ' ' GLY . . . -119.93 -2.44 10.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.497 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -73.12 -51.84 5.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 109.986 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.635 ' O ' HD21 ' A' ' 9' ' ' LEU . 18.3 Cg_endo -75.02 -33.43 4.56 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.52 1.8 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.55 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -85.24 -24.5 27.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 48' ' ' ASN . . . -53.51 -56.51 19.58 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.403 1.064 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.478 ' CE2' ' O ' ' A' ' 1' ' ' ALA . 0.5 OUTLIER -48.01 -43.11 29.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 0.0 111.013 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.509 HD22 ' O ' ' A' ' 9' ' ' LEU . 13.9 tp -80.11 -21.69 42.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.246 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.739 ' CD1' HD11 ' A' ' 29' ' ' ILE . 1.5 mm? -81.47 -22.99 37.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 44' ' ' GLY . 22.9 t-20 -81.96 -32.8 30.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -25.39 63.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.256 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.99 -42.27 98.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 t -85.29 -22.9 7.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -61.3 -47.37 86.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.975 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.455 ' O ' HD23 ' A' ' 6' ' ' LEU . 24.9 p 39.47 90.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.028 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -93.88 -52.97 4.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.253 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.698 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -83.23 -21.78 33.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.253 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.438 ' C ' ' N ' ' A' ' 7' ' ' ALA . 1.1 mp -62.84 -70.61 0.2 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.455 HD23 ' O ' ' A' ' 2' ' ' SER . 0.7 OUTLIER -40.67 -29.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.369 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.698 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . -60.34 -67.13 0.42 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.525 ' O ' ' CG ' ' A' ' 12' ' ' GLN . 35.7 t -53.98 -38.67 65.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.03 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.593 HD12 HD12 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -63.12 -31.39 72.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.844 HD13 ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -85.76 -47.15 10.01 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.363 179.901 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.844 ' N ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -65.45 -28.24 69.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.366 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.525 ' CG ' ' O ' ' A' ' 8' ' ' SER . 5.7 mm-40 -85.34 -39.59 17.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.454 ' HG ' ' HA ' ' A' ' 10' ' ' LEU . 90.3 p -73.57 -32.17 64.01 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.463 1.102 . . . . 0.0 110.04 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.11 -40.23 95.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -78.18 -25.58 47.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.268 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 38.9 51.56 1.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.249 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -89.64 33.16 4.48 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.541 1.151 . . . . 0.0 111.031 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 119.7 63.48 0.27 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.459 ' O ' ' CB ' ' A' ' 22' ' ' SER . . . -115.79 102.15 1.07 Allowed Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 24' ' ' SER . 1.1 mt -62.2 -59.77 4.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 0.74 . . . . 0.0 109.222 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.572 HD13 ' N ' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -48.6 -24.18 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 1.6 t -54.38 -25.9 27.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.97 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -141.29 -47.28 0.39 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 20' ' ' LEU . 1.9 m -42.8 -49.45 5.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.989 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.731 ' HB3' HD11 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -84.6 -22.81 29.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.52 -11.57 42.13 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 111.05 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -102.39 -13.34 17.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.586 0.815 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.6 ' HB2' HD13 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -93.98 -2.56 52.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.019 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.698 HG13 HD22 ' A' ' 47' ' ' LEU . 1.3 mm -68.58 -49.5 29.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.5 Cg_endo -75.0 -9.77 20.91 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.541 1.811 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -86.31 11.19 12.75 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.434 1.084 . . . . 0.0 109.341 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 72.8 m 66.11 40.07 4.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 35' ' ' ARG . . . 65.03 44.46 3.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -38.67 -30.38 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.968 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -144.87 -79.49 0.18 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.627 1.204 . . . . 0.0 110.274 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.501 ' C ' ' HB3' ' A' ' 40' ' ' ALA . . . 40.37 79.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.612 ' N ' ' HB3' ' A' ' 40' ' ' ALA . 0.5 OUTLIER -163.7 159.35 21.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 110.009 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.432 ' CB ' ' O ' ' A' ' 37' ' ' SER . 0.1 OUTLIER 80.32 -71.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.004 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.41 7.58 20.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.612 ' HB3' ' N ' ' A' ' 37' ' ' SER . . . -100.01 4.86 45.03 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.531 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.5 OUTLIER -77.39 -50.16 2.15 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.046 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.2 Cg_endo -75.01 -33.4 4.6 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.478 1.778 . . . . 0.0 111.049 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.501 ' CD ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -85.67 -32.65 21.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -42.75 -56.98 4.14 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -45.72 -31.84 2.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 0.797 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.593 HD12 HD12 ' A' ' 9' ' ' LEU . 8.1 mt -84.83 -32.93 23.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.731 HD11 ' HB3' ' A' ' 25' ' ' LEU . 7.2 mt -72.63 -37.32 68.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.249 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.569 ' O ' HG12 ' A' ' 51' ' ' VAL . 20.8 t-20 -59.74 -38.03 80.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.13 -25.99 58.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.8 -30.71 68.31 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.569 HG12 ' O ' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -85.09 -28.11 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.8 tp60 -63.94 -55.98 18.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.356 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 179.955 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.452 ' O ' ' CZ ' ' A' ' 45' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.573 ' O ' ' CE2' ' A' ' 45' ' ' PHE . 52.7 p 55.24 61.66 2.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.967 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.08 -60.34 2.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.478 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 1.5 mtm105 -56.92 -24.47 52.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.419 ' CB ' ' HB2' ' A' ' 2' ' ' SER . 10.6 tp -68.01 -37.82 81.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.54 ' HG ' HD12 ' A' ' 46' ' ' LEU . 1.4 tt -58.07 -24.82 59.99 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.488 1.118 . . . . 0.0 109.357 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . -63.51 -66.83 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.41 ' O ' ' CG ' ' A' ' 12' ' ' GLN . 24.5 t -55.39 -35.82 65.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 0.0 109.978 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.534 ' HB3' HD22 ' A' ' 46' ' ' LEU . 5.9 mt -59.05 -40.3 84.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.604 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -70.6 -52.39 21.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.578 ' N ' HD13 ' A' ' 10' ' ' LEU . 14.8 mtp-105 -52.84 -31.96 41.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 110.333 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.41 ' CG ' ' O ' ' A' ' 8' ' ' SER . 4.0 mm-40 -72.63 -41.37 65.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.3 p -76.26 -32.62 58.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.13 -44.49 79.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 16' ' ' ARG . 5.4 pt20 -76.29 -24.5 54.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' GLN . 0.4 OUTLIER 38.25 73.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.286 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.09 -47.49 11.14 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.57 -65.1 0.26 Allowed Glycine 0 CA--C 1.529 0.964 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.64 61.28 0.01 OUTLIER Glycine 0 CA--C 1.529 0.929 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.517 HD23 ' H ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -64.12 -33.98 77.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 0.748 . . . . 0.0 109.274 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.891 HD12 HD21 ' A' ' 47' ' ' LEU . 28.7 mm -131.49 9.71 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.3 -86.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.31 10.31 11.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.259 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 m -82.14 -94.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.962 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.868 ' O ' HD11 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -84.98 47.93 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.93 -48.73 0.04 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -51.11 -22.44 2.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 0.785 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 32' ' ' SER . 55.5 m -138.9 63.48 1.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.862 HG23 HG22 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -58.69 -45.26 99.65 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.248 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.709 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 18.5 Cg_endo -75.0 -46.41 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.415 1.745 . . . . 0.0 111.028 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.464 ' CB ' ' HB3' ' A' ' 28' ' ' SER . 0.0 OUTLIER -64.64 -61.42 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.35 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 28' ' ' SER . 16.5 m -50.8 -22.26 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.059 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.709 ' HB3' ' O ' ' A' ' 30' ' ' PRO . . . -58.06 -17.09 15.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 53.1 m -78.42 -28.19 46.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.055 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -76.85 -67.65 0.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.354 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 35' ' ' ARG . . . 39.12 65.06 0.72 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.12 -52.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.047 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.48 76.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 59.29 30.46 20.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.352 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 44' ' ' GLY . . . -115.47 0.88 13.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.5 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -72.41 -52.25 6.93 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.1 . . . . 0.0 109.993 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.4 Cg_endo -74.92 -33.98 4.28 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.485 1.781 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.804 ' O ' HD23 ' A' ' 47' ' ' LEU . 1.9 mmtt -85.55 -20.72 29.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -56.53 -57.01 21.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.544 1.153 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.573 ' CE2' ' O ' ' A' ' 2' ' ' SER . 33.4 t80 -44.96 -40.48 6.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 111.007 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.54 HD12 ' HG ' ' A' ' 6' ' ' LEU . 7.6 tp -76.9 -30.64 56.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.891 HD21 HD12 ' A' ' 21' ' ' ILE . 4.0 mm? -71.96 -43.2 65.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -54.26 -41.74 69.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.406 ' NH2' ' OE1' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -61.62 -41.8 97.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.601 ' O ' ' CD1' ' A' ' 53' ' ' TYR . . . -64.45 -50.89 65.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.862 HG22 HG23 ' A' ' 29' ' ' ILE . 17.2 t -46.86 -34.12 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.357 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -44.69 -62.98 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.352 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.7 p -108.46 1.27 21.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -68.9 -18.65 64.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -78.28 -34.3 48.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.283 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.621 HD23 ' N ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -60.4 -68.15 0.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.747 HD23 ' CZ ' ' A' ' 45' ' ' PHE . 1.6 pp -48.04 -33.89 8.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.04 -56.13 14.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 12' ' ' GLN . 53.5 m -54.11 -28.2 37.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.1 mt -70.61 -35.95 73.24 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.433 1.083 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.795 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -85.34 -48.74 8.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.701 ' N ' HD13 ' A' ' 10' ' ' LEU . 2.4 ptm180 -59.36 -27.12 65.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.489 ' CB ' ' O ' ' A' ' 8' ' ' SER . 2.8 tp60 -85.03 -31.5 23.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.2 p -81.68 -20.12 40.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.985 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.41 -39.79 37.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -80.23 2.06 25.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -90.43 16.72 8.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 37.74 62.62 0.96 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 154.48 -55.22 0.42 Allowed Glycine 0 CA--C 1.531 1.061 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.76 136.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.14 -46.46 16.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 0.811 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.542 HD11 HD21 ' A' ' 47' ' ' LEU . 10.2 tp -92.68 9.71 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.8 -51.66 9.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.932 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -164.78 28.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 110.277 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.36 -65.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.03 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.463 HD11 ' HA ' ' A' ' 36' ' ' ALA . 0.3 OUTLIER -81.61 -24.44 36.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.147 . . . . 0.0 109.36 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.75 -17.05 62.22 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.472 1.108 . . . . 0.0 110.975 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.2 -12.03 29.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 33' ' ' ALA . 1.4 m -93.62 -10.45 34.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.991 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.651 HG13 HD13 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -71.65 -53.0 7.74 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.591 1.182 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.4 Cg_endo -74.92 -13.85 21.48 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.524 1.802 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.442 ' CG ' ' HB2' ' A' ' 34' ' ' SER . 15.9 tttt -86.99 12.42 11.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.523 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.4 OUTLIER 67.28 34.16 5.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.46 1.1 . . . . 0.0 110.049 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 32' ' ' SER . . . 72.54 47.39 0.25 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.127 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 33' ' ' ALA . 9.2 t -36.15 -37.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -144.02 -93.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.32 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.463 ' HA ' HD11 ' A' ' 25' ' ' LEU . . . 62.12 100.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.415 1.072 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.39 -57.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.928 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 m -44.72 -69.16 0.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 0.0 109.95 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -134.28 75.83 1.61 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.586 1.179 . . . . 0.0 110.338 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.409 ' O ' ' CA ' ' A' ' 44' ' ' GLY . . . -120.32 -2.98 10.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.465 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -74.76 -53.78 3.05 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.0 Cg_endo -74.96 -32.87 5.09 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.477 1.777 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.551 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -85.44 -24.02 27.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -52.75 -62.04 6.24 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.548 1.155 . . . . 0.0 111.044 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.747 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 1.7 t80 -43.57 -34.92 1.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 0.728 . . . . 0.0 111.018 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.7 tt -84.25 -34.19 23.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.347 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.651 HD13 HG13 ' A' ' 29' ' ' ILE . 0.1 OUTLIER -70.67 -29.88 66.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 44' ' ' GLY . 0.8 OUTLIER -70.44 -37.23 74.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.63 -27.19 64.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 110.336 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.59 ' HA ' ' CD2' ' A' ' 53' ' ' TYR . . . -75.11 -51.94 12.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -61.18 -15.65 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.68 -50.98 11.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.637 ' CD1' ' C ' ' A' ' 53' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.411 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 80.7 p -107.68 175.04 5.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 109.957 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.411 ' CB ' ' O ' ' A' ' 2' ' ' SER . 0.0 OUTLIER 78.24 -60.86 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.255 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.587 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -70.59 -30.65 67.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.27 -68.03 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.594 HD12 HD12 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -45.43 -29.43 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . -65.8 -64.3 0.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.466 ' O ' ' CG ' ' A' ' 12' ' ' GLN . 0.9 OUTLIER -49.76 -31.24 11.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 110.007 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.825 HD12 HD22 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -74.43 -32.95 62.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.727 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -74.59 -41.03 61.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 109.327 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.447 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 29.9 mtp180 -65.87 -21.42 66.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.334 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.466 ' CG ' ' O ' ' A' ' 8' ' ' SER . 9.3 mm-40 -78.18 -43.5 28.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.32 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.1 t -75.53 -30.38 59.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.045 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.6 -44.98 73.18 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 11' ' ' ARG . 4.6 pt20 -74.7 -30.76 61.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 38.79 85.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -118.14 51.06 0.76 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.538 1.149 . . . . 0.0 110.951 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 151.39 -65.63 0.36 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.6 67.04 0.94 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.74 -10.71 20.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.767 . . . . 0.0 109.213 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.473 ' CD1' ' HB3' ' A' ' 43' ' ' LYS . 0.7 OUTLIER -116.0 -1.92 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 109.34 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.0 m -109.37 -22.75 11.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -103.71 -46.79 4.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.61 -72.93 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.975 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.919 HD13 ' OG ' ' A' ' 32' ' ' SER . 1.6 mm? -84.13 48.79 1.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.167 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -137.45 -62.31 0.05 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.554 1.159 . . . . 0.0 111.063 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -52.96 -21.16 4.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 0.785 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.51 ' O ' ' N ' ' A' ' 32' ' ' SER . 62.9 m -145.74 53.23 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 110.044 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.715 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -43.47 -50.08 17.07 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.1 Cg_endo -74.94 -65.66 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.482 1.78 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.31 -58.05 3.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.919 ' OG ' HD13 ' A' ' 25' ' ' LEU . 22.3 p -56.78 -37.43 71.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.996 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 29' ' ' ILE . . . -65.66 -10.99 41.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.259 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -99.14 -7.69 26.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.071 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.99 2.75 5.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.243 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 32' ' ' SER . . . -93.6 -93.43 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.112 . . . . 0.0 109.254 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 38' ' ' SER . 0.1 OUTLIER 67.69 146.65 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.157 . . . . 0.0 109.977 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 37' ' ' SER . 0.1 OUTLIER 78.05 -59.01 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.076 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.48 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 31.1 mtt180 -88.6 -29.64 19.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 110.307 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.408 ' O ' ' HA3' ' A' ' 44' ' ' GLY . . . -94.53 8.85 40.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.547 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.5 OUTLIER -80.05 -49.05 1.29 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 41' ' ' SER . 17.9 Cg_endo -75.15 -34.29 3.81 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.486 1.782 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.532 ' HG2' HD21 ' A' ' 9' ' ' LEU . 3.5 mtpt -85.48 -38.3 18.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -37.35 -53.38 1.71 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.123 . . . . 0.0 111.046 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -44.01 -44.75 7.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 111.026 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.825 HD22 HD12 ' A' ' 9' ' ' LEU . 1.7 tp -73.17 -30.21 63.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.25 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.648 HD13 HG12 ' A' ' 29' ' ' ILE . 10.7 mt -71.85 -46.99 56.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.59 1.181 . . . . 0.0 109.242 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -50.05 -39.5 42.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.417 1.073 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.33 -23.28 43.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.31 -30.39 57.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -85.02 -25.77 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -48.7 68.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.353 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.005 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.19 136.08 13.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 110.035 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 69.72 -60.19 0.48 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 0.0 110.323 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -54.96 -32.63 61.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.342 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.1 tp -66.15 -33.75 76.48 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.578 1.174 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.2 tp -64.69 -26.75 68.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.09 -62.4 1.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.92 -28.64 17.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.979 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.495 ' HB3' HD13 ' A' ' 46' ' ' LEU . 0.4 OUTLIER -69.8 -32.01 70.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.735 HD23 ' N ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -81.45 -46.14 15.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.342 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.735 ' N ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -60.53 -19.21 56.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -85.01 -40.55 16.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.3 t -77.29 -24.33 51.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 110.049 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.38 -39.07 48.59 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 109.238 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -79.85 -4.3 51.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 110.254 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -101.37 -24.21 14.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.265 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.67 -56.22 3.79 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 159.43 50.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -107.59 -50.91 0.78 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.455 HD23 ' N ' ' A' ' 21' ' ' ILE . 1.2 pt? -61.81 -16.8 52.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.763 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.455 ' N ' HD23 ' A' ' 20' ' ' LEU . 14.9 tt -125.27 14.6 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.17 . . . . 0.0 109.249 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.5 t -42.35 -49.31 5.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.974 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.01 37.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.347 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.42 -72.41 0.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.421 1.075 . . . . 0.0 109.991 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.675 HD21 ' HB3' ' A' ' 36' ' ' ALA . 14.5 mt -84.82 -29.13 25.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.38 -22.89 63.91 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -54.54 -20.16 7.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.409 0.711 . . . . 0.0 109.353 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.6 63.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.928 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 1.105 HD11 HD12 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -45.76 -51.31 30.22 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -74.99 54.66 3.71 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.49 1.784 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 32' ' ' SER . 0.3 OUTLIER 175.51 -59.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.433 ' C ' ' N ' ' A' ' 34' ' ' SER . 2.9 m -65.58 -40.62 92.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.173 . . . . 0.0 109.953 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -39.91 -30.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.433 ' N ' ' C ' ' A' ' 32' ' ' SER . 0.2 OUTLIER -71.91 61.61 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 109.954 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? 64.42 68.75 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.265 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.675 ' HB3' HD21 ' A' ' 25' ' ' LEU . . . -72.04 -34.1 68.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 36' ' ' ALA . 1.6 t 85.26 -168.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.997 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.552 ' O ' ' CB ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER 55.68 29.88 14.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.023 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.552 ' CB ' ' O ' ' A' ' 38' ' ' SER . 3.5 tpp85 89.25 75.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.674 ' HB1' HD11 ' A' ' 25' ' ' LEU . . . -132.57 5.67 4.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.508 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -83.78 -51.77 0.61 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.989 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.5 Cg_endo -74.98 -33.09 4.87 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.587 1.835 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.462 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -85.76 -35.79 20.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.598 1.186 . . . . 0.0 109.25 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 48' ' ' ASN . . . -45.65 -43.44 11.32 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.494 1.121 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -54.44 -38.96 66.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 111.087 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.495 HD13 ' HB3' ' A' ' 9' ' ' LEU . 9.7 tp -85.34 -23.08 28.21 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.423 1.077 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 1.105 HD12 HD11 ' A' ' 29' ' ' ILE . 1.1 mm? -80.13 -27.46 39.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 44' ' ' GLY . 1.0 OUTLIER -78.7 -29.74 45.64 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.586 1.179 . . . . 0.0 109.305 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.417 ' HG3' ' N ' ' A' ' 50' ' ' ALA . 1.9 ppt_? -74.45 -21.34 59.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.417 ' N ' ' HG3' ' A' ' 49' ' ' ARG . . . -74.36 -28.59 61.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.595 ' CG2' ' CG2' ' A' ' 29' ' ' ILE . 29.0 t -74.94 -59.95 2.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.566 1.166 . . . . 0.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -44.3 -38.63 4.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.097 . . . . 0.0 110.991 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.434 ' HA ' HD13 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.4 -67.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.957 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.17 -57.7 3.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.592 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 4.3 mtm180 -52.43 -32.35 38.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 1' ' ' ALA . 2.8 tp -56.7 -59.25 5.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.963 HD12 HD12 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -46.52 -35.35 5.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.231 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . -62.76 -63.53 1.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.4 m -58.17 -31.49 67.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.028 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.792 ' HB3' HD22 ' A' ' 46' ' ' LEU . 0.9 OUTLIER -65.72 -32.2 73.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.147 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.667 HD13 ' N ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -78.43 -50.69 11.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 109.269 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.667 ' N ' HD13 ' A' ' 10' ' ' LEU . 15.4 mtp-105 -50.85 -52.25 43.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.251 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -51.6 -39.76 58.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.446 1.091 . . . . 0.0 110.26 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.64 -31.26 59.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 109.99 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.76 -33.96 74.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.51 -51.11 6.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.334 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 56.49 91.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -98.25 -54.4 1.18 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -114.58 -55.39 0.39 Allowed Glycine 0 CA--C 1.531 1.061 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.463 ' O ' HG22 ' A' ' 21' ' ' ILE . . . 135.49 -101.25 0.38 Allowed Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 mp 53.62 22.93 3.28 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.47 0.747 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.463 HG22 ' O ' ' A' ' 19' ' ' GLY . 17.2 tt -143.44 -47.08 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.248 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.78 -19.57 32.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.01 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -93.83 -54.11 3.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.395 1.06 . . . . 0.0 110.248 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.7 m -66.07 -89.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.027 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.641 HD11 ' CB ' ' A' ' 40' ' ' ALA . 2.0 mt -80.52 55.03 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.237 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.2 -46.51 0.05 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.476 1.11 . . . . 0.0 110.943 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -52.5 -21.13 3.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 0.745 . . . . 0.0 109.333 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -166.72 78.21 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.95 ' CD1' HD12 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -63.45 -43.91 80.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.6 Cg_endo -74.98 0.58 8.72 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.504 1.792 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -137.62 16.45 2.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 28' ' ' SER . 1.7 m -111.35 -42.47 3.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 110.088 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.69 -13.73 35.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.584 1.178 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.84 -6.16 43.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.03 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.86 57.21 0.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.085 . . . . 0.0 110.312 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.563 ' HB1' HD11 ' A' ' 25' ' ' LEU . . . -118.15 -99.21 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 38' ' ' SER . 2.8 m 65.17 -176.78 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.016 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 37' ' ' SER . 1.8 t 87.04 -58.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.983 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.93 27.03 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.128 . . . . 0.0 110.273 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.641 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . -98.29 0.31 45.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.493 ' CB ' ' HD3' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -68.78 -55.78 10.56 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.04 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.493 ' HD3' ' CB ' ' A' ' 41' ' ' SER . 18.2 Cg_endo -75.01 -28.43 9.16 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.504 1.792 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.885 ' CD ' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -85.08 -23.51 28.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -63.81 -50.02 64.14 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.679 ' HE1' HD13 ' A' ' 6' ' ' LEU . 6.3 t80 -46.08 -32.69 3.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 0.784 . . . . 0.0 111.006 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.963 HD12 HD12 ' A' ' 6' ' ' LEU . 6.6 tp -84.35 -32.74 24.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.95 HD12 ' CD1' ' A' ' 29' ' ' ILE . 1.3 mm? -73.64 -34.16 64.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 44' ' ' GLY . 1.3 m-20 -62.88 -39.66 95.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.23 -38.39 90.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.609 ' O ' ' CD1' ' A' ' 53' ' ' TYR . . . -52.13 -38.33 57.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.496 ' CG2' HG21 ' A' ' 29' ' ' ILE . 85.9 t -84.21 -27.52 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.51 -55.56 32.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.157 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.609 ' CD1' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.519 ' HB3' ' CD2' ' A' ' 45' ' ' PHE . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.65 130.51 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.029 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.02 -49.74 39.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.239 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.88 -39.21 84.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 tp -62.07 -51.55 67.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.908 HD13 ' N ' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -52.22 -45.81 65.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.908 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -56.86 -58.46 8.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.87 -23.48 2.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.944 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.917 ' HB3' HD22 ' A' ' 46' ' ' LEU . 1.1 mm? -81.53 -31.76 32.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.771 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -80.87 -47.95 13.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.365 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.749 ' N ' HD13 ' A' ' 10' ' ' LEU . 21.3 mtm180 -54.74 -50.75 67.62 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.448 1.092 . . . . 0.0 110.285 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -49.17 -43.57 42.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 110.341 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.07 -29.75 60.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.965 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.71 -32.82 73.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.184 . . . . 0.0 109.243 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.35 -51.49 6.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.152 . . . . 0.0 110.335 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.24 -42.04 4.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.413 1.071 . . . . 0.0 110.291 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.4 -52.69 3.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.55 -60.32 5.93 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 79.31 90.86 0.41 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.44 -54.94 5.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 0.746 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.478 ' CG2' HD21 ' A' ' 47' ' ' LEU . 1.3 mp -56.71 -18.64 7.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.5 p -52.89 -57.62 9.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.979 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -102.32 -33.18 9.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.334 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.7 t -53.92 -86.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.966 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.983 HD11 ' CB ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -80.17 54.61 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.44 ' HA2' HD12 ' A' ' 47' ' ' LEU . . . -140.08 -44.47 0.07 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.432 1.082 . . . . 0.0 111.027 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -45.07 -26.52 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 0.792 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 26' ' ' GLY . 12.0 p -112.48 48.89 0.96 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.95 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.563 HD11 HD12 ' A' ' 47' ' ' LEU . 0.6 OUTLIER -77.64 -53.71 1.5 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.4 Cg_endo -74.98 -10.37 21.21 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.508 1.793 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -78.71 2.44 19.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 71.41 33.14 1.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.969 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 54.02 27.41 7.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.2 t -39.45 -34.98 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.002 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.704 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -109.91 64.82 0.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.385 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.983 ' CB ' HD11 ' A' ' 25' ' ' LEU . . . 162.53 107.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.376 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.483 ' O ' ' CB ' ' A' ' 38' ' ' SER . 96.2 p -130.54 134.64 47.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 110.016 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 37' ' ' SER . 1.4 t 84.94 -48.53 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.963 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.48 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -80.54 -26.86 37.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.314 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.559 ' HB2' ' HB1' ' A' ' 36' ' ' ALA . . . -93.6 12.28 25.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.51 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.5 OUTLIER -81.92 -51.39 0.81 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.959 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.2 Cg_endo -75.05 -33.93 4.16 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.777 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.591 ' HG2' HD11 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -85.5 -36.84 20.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -38.07 -56.71 1.78 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.568 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 5.9 t80 -44.84 -38.46 4.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 0.733 . . . . 0.0 111.043 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.917 HD22 ' HB3' ' A' ' 9' ' ' LEU . 55.2 tp -78.98 -31.49 44.91 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.563 HD12 HD11 ' A' ' 29' ' ' ILE . 4.3 mm? -72.48 -36.93 68.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.426 1.079 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.59 -37.12 85.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.595 1.185 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -32.28 71.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.13 -34.98 72.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -85.19 -29.29 6.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -59.91 -48.54 81.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 110.973 -179.949 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.788 ' HB3' ' CE2' ' A' ' 45' ' ' PHE . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.74 118.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.959 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.68 -44.53 85.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -38.68 90.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.587 1.179 . . . . 0.0 110.253 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.543 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -65.57 -55.89 15.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.16 . . . . 0.0 109.284 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.648 HD22 ' CE1' ' A' ' 45' ' ' PHE . 2.4 tp -56.31 -24.96 46.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.39 -55.25 5.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.248 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.99 -25.75 61.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.992 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.758 ' HB3' HD13 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -74.55 -29.72 61.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.773 HD13 ' N ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -79.06 -46.23 18.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.773 ' N ' HD13 ' A' ' 10' ' ' LEU . 68.7 mtp180 -54.03 -37.89 64.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.2 tp60 -69.98 -35.4 74.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.1 t -77.86 -32.11 51.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.1 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.53 -49.43 59.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.424 ' NE2' ' O ' ' A' ' 11' ' ' ARG . 4.9 pt20 -68.79 -14.23 62.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.7 mtt85 -140.58 68.97 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.3 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -40.53 -36.68 1.06 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.541 1.15 . . . . 0.0 111.02 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -47.26 -79.19 0.07 OUTLIER Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 65.23 108.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mt -74.19 -42.58 59.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 0.0 109.352 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.482 HD13 ' N ' ' A' ' 22' ' ' SER . 0.1 OUTLIER -69.86 -10.67 13.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.482 ' N ' HD13 ' A' ' 21' ' ' ILE . 0.5 OUTLIER -67.08 -19.81 65.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.957 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.51 -56.23 1.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.21 -44.3 22.34 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 110.067 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.15 -22.5 28.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.538 ' HA3' HD11 ' A' ' 29' ' ' ILE . . . -82.93 11.08 55.74 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -69.86 -16.92 63.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.424 0.72 . . . . 0.0 109.305 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 m -146.13 60.03 1.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.422 1.076 . . . . 0.0 109.996 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.538 HD11 ' HA3' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -82.16 -52.17 0.74 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.3 Cg_endo -75.01 0.91 8.34 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.533 1.807 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.52 14.09 17.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.589 1.18 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.4 m 67.69 41.87 2.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.057 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.92 ' HB1' ' HB2' ' A' ' 36' ' ' ALA . . . 59.18 39.33 23.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.219 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -38.85 -34.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.007 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.21 73.31 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.92 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . . . -108.27 63.93 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 p -59.1 -174.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.996 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.2 p -63.89 -25.16 68.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.57 7.14 42.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.351 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.481 ' CB ' ' HA ' ' A' ' 36' ' ' ALA . . . -116.41 2.11 13.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.517 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.6 OUTLIER -73.35 -51.26 5.83 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.952 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.4 Cg_endo -74.93 -33.41 4.71 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.589 1.836 . . . . 0.0 111.033 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.566 ' HD2' HD21 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -85.43 -25.32 27.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -55.09 -47.27 74.55 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.788 ' CE2' ' HB3' ' A' ' 1' ' ' ALA . 1.3 t80 -52.36 -41.06 62.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 0.782 . . . . 0.0 110.961 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.758 HD13 ' HB3' ' A' ' 9' ' ' LEU . 0.9 OUTLIER -85.16 -16.03 41.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.404 HD21 HG12 ' A' ' 21' ' ' ILE . 0.5 OUTLIER -85.17 -30.31 24.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' GLY . 2.0 t30 -81.85 -31.87 31.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.544 ' HD3' HD12 ' A' ' 46' ' ' LEU . 4.2 ptm180 -74.86 -11.86 60.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.95 -37.27 40.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.493 HG23 ' CG2' ' A' ' 29' ' ' ILE . 2.3 t -71.52 -58.21 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 53' ' ' TYR . 13.6 pt20 -40.19 -42.64 1.52 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 110.288 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.413 ' N ' ' HG3' ' A' ' 52' ' ' GLN . 1.4 m-30 . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.453 ' N ' ' CD2' ' A' ' 45' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 m -127.07 160.86 29.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.537 1.148 . . . . 0.0 110.003 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -45.84 -68.25 0.21 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.43 1.081 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.55 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -48.4 -38.3 19.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.429 ' C ' ' N ' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -54.09 -77.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.573 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -42.86 -28.33 0.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 4' ' ' ARG . . . -71.24 -57.97 3.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.5 p -60.89 -24.22 65.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.64 -26.8 62.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.386 1.054 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.784 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -84.6 -45.56 12.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.776 ' N ' HD13 ' A' ' 10' ' ' LEU . 57.4 mtp180 -58.36 -36.52 73.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.239 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -72.75 -32.72 65.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 t -78.16 -33.54 50.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 110.055 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.64 -42.92 70.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -75.45 -11.89 60.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.51 1.131 . . . . 0.0 110.333 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -57.42 -33.91 68.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.224 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.88 -52.55 3.97 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.557 1.161 . . . . 0.0 111.02 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.0 -59.67 8.24 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 154.45 -91.6 0.13 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mt 66.75 25.92 9.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 0.805 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 12.1 tt -159.95 -44.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.41 -61.08 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.941 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.3 ptt-85 -157.51 26.68 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.1 m -75.05 -96.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.505 HD11 ' CB ' ' A' ' 32' ' ' SER . 4.2 tp -84.13 7.18 19.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.44 ' C ' ' N ' ' A' ' 28' ' ' SER . . . -86.68 -36.62 9.25 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.553 1.158 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -43.46 -26.9 0.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.44 ' N ' ' C ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -154.24 83.52 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.962 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.714 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -75.63 -39.48 2.97 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.714 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.4 Cg_endo -75.05 -11.32 21.38 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.537 1.809 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.8 -0.7 14.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.505 ' CB ' HD11 ' A' ' 25' ' ' LEU . 55.6 p -89.14 -34.2 16.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.031 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.46 -15.39 26.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.127 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.5 p -91.51 -25.59 19.19 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.565 1.166 . . . . 0.0 109.962 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.416 ' HB2' ' NH1' ' A' ' 35' ' ' ARG . 3.9 ptm85 -119.98 60.35 0.86 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 0.0 110.317 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -175.48 -96.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 26.6 m 63.76 42.71 5.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.041 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.87 -40.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.999 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.36 -31.61 10.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 44' ' ' GLY . . . -93.15 -0.98 56.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.51 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -74.11 -51.62 4.66 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 110.058 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.4 Cg_endo -75.05 -31.95 5.72 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.5 1.789 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.501 ' CD ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -85.56 -32.18 22.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -46.36 -54.1 8.93 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.601 1.188 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.573 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 2.2 t80 -45.01 -33.43 2.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.453 HD23 ' HE2' ' A' ' 43' ' ' LYS . 11.5 tp -82.7 -34.35 27.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.624 HD12 HG21 ' A' ' 29' ' ' ILE . 0.1 OUTLIER -70.4 -37.87 74.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -59.65 -43.95 93.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.155 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -66.6 -26.57 67.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 47' ' ' LEU . . . -62.27 -38.26 88.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 38.3 t -85.11 -26.07 6.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.18 -54.61 34.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.417 1.073 . . . . 0.0 111.047 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.554 ' HB1' ' HE2' ' A' ' 45' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.413 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 10.2 m -96.62 90.99 5.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.964 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.686 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 4.7 mtt85 -44.38 -38.7 4.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.435 1.084 . . . . 0.0 110.291 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -65.34 -41.41 93.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 110.252 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.413 ' HB2' ' CB ' ' A' ' 2' ' ' SER . 3.5 tp -66.82 -59.27 3.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.53 HD11 ' HA ' ' A' ' 3' ' ' ARG . 0.3 OUTLIER -59.55 -17.98 37.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 3' ' ' ARG . . . -77.09 -59.39 2.8 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.508 1.13 . . . . 0.0 109.368 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.6 t -50.7 -30.52 13.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.042 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.15 -28.52 54.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.734 HD23 ' C ' ' A' ' 10' ' ' LEU . 3.3 tt -84.4 -53.63 5.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.503 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 18.6 mtm180 -48.95 -23.03 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -85.21 -40.9 16.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.348 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.7 t -73.67 -26.05 60.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.932 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.74 -31.04 71.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.433 1.083 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 11' ' ' ARG . 0.2 OUTLIER -85.28 -45.63 11.77 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.57 1.169 . . . . 0.0 110.322 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -38.21 -31.39 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.27 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 15' ' ' GLN . . . 77.71 -52.96 3.61 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.478 1.111 . . . . 0.0 110.975 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.24 -64.94 2.77 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.79 110.79 0.09 OUTLIER Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.19 -68.4 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.471 HG22 ' CE ' ' A' ' 43' ' ' LYS . 2.5 pp -52.21 -22.05 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.29 -22.49 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.989 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.2 ptt-85 -146.91 -45.82 0.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 m -43.15 -89.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.615 ' HB3' HD11 ' A' ' 47' ' ' LEU . 0.7 OUTLIER -70.31 -25.22 63.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.71 -23.52 63.21 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.442 1.089 . . . . 0.0 110.995 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -86.39 -15.0 41.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 0.72 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.97 -10.37 36.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 0.0 109.972 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.889 HG13 HD22 ' A' ' 47' ' ' LEU . 0.7 OUTLIER -68.3 -53.31 18.63 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.3 Cg_endo -74.97 -10.46 21.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.78 . . . . 0.0 111.02 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -82.48 6.27 17.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.498 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.5 OUTLIER 69.08 34.88 2.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 32' ' ' SER . . . 71.92 48.04 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -35.03 -57.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.966 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.31 -79.53 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 46.01 80.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.5 OUTLIER -120.93 -149.83 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.469 ' O ' ' CB ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -60.04 82.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.042 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.469 ' CB ' ' O ' ' A' ' 38' ' ' SER . 1.2 mtm-85 160.26 -29.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 110.315 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -93.46 7.17 45.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.5 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.5 OUTLIER -77.58 -51.54 1.86 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 41' ' ' SER . 18.4 Cg_endo -75.0 -32.33 5.46 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.515 1.797 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.471 ' CE ' HG22 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -85.84 -33.37 21.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -44.25 -53.02 6.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.554 ' HE2' ' HB1' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -46.35 -38.43 8.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.774 . . . . 0.0 110.976 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.553 ' N ' ' CD1' ' A' ' 45' ' ' PHE . 12.1 tp -84.92 -23.57 28.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.257 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.889 HD22 HG13 ' A' ' 29' ' ' ILE . 0.2 OUTLIER -76.79 -34.03 57.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -70.44 -36.04 73.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -69.19 -22.23 63.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.35 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.437 ' N ' ' HG3' ' A' ' 49' ' ' ARG . . . -64.52 -38.75 92.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.244 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.6 t -82.93 -32.8 9.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.448 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 37.4 tp60 -48.51 -48.16 38.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 110.253 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.463 1.102 . . . . 0.0 110.956 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p -143.02 164.15 30.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.977 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.46 -57.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -31.65 72.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tp -66.19 -22.88 66.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.639 HD11 ' HD3' ' A' ' 49' ' ' ARG . 26.1 tp -69.53 -26.29 64.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.33 -62.55 1.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -32.81 41.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.852 HD13 ' HB2' ' A' ' 46' ' ' LEU . 6.0 mt -68.27 -34.5 76.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.371 1.044 . . . . 0.0 109.368 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.592 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -74.48 -52.81 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.578 ' N ' HD13 ' A' ' 10' ' ' LEU . 50.4 mtp180 -53.98 -55.45 27.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.232 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -50.65 -26.27 5.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.419 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 1.7 t -95.11 -23.5 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -75.19 -44.66 45.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -59.86 -18.96 48.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.419 ' NE ' ' HA ' ' A' ' 13' ' ' SER . 24.7 ptt180 -118.44 51.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.72 -20.97 4.47 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.6 -54.81 1.75 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.21 -118.88 1.06 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mp 57.21 25.77 11.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.358 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 21' ' ' ILE . 19.1 mm -150.67 -45.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 21' ' ' ILE . 11.7 t -36.86 -72.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -122.14 21.05 10.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.4 t -85.24 -82.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.95 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.715 HD11 ' HB2' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -77.78 -14.11 59.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.478 ' HA2' ' CD1' ' A' ' 29' ' ' ILE . . . -78.91 4.62 60.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.558 1.161 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.9 -32.18 73.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.62 65.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.719 HD13 HD12 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -80.72 -52.17 0.92 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -74.98 -2.53 12.65 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -95.88 19.3 11.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.225 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.5 m 60.73 35.39 19.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 53.25 41.15 32.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.96 -15.88 60.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.0 47.88 0.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.374 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -161.27 -98.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.7 m 57.25 63.15 1.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.09 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.4 t 175.01 -41.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 0.0 110.038 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.472 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 2.9 mpp_? -142.97 34.57 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.715 ' HB2' HD11 ' A' ' 25' ' ' LEU . . . -130.8 6.16 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.523 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -80.33 -50.02 1.15 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.039 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.792 ' O ' HD11 ' A' ' 9' ' ' LEU . 18.3 Cg_endo -75.02 -34.12 4.04 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.521 1.8 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 1.3 mttt -85.6 -34.73 21.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -40.71 -54.02 3.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.489 ' HE1' HD13 ' A' ' 6' ' ' LEU . 57.2 t80 -44.8 -35.91 2.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 110.947 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.852 ' HB2' HD13 ' A' ' 9' ' ' LEU . 16.6 tp -82.8 -31.89 27.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.719 HD12 HD13 ' A' ' 29' ' ' ILE . 2.6 mm? -72.48 -33.17 66.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -63.99 -41.4 97.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.639 ' HD3' HD11 ' A' ' 6' ' ' LEU . 0.8 OUTLIER -63.51 -36.29 83.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 110.332 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.8 -31.85 66.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.419 HG21 ' HB ' ' A' ' 29' ' ' ILE . 53.8 t -81.4 -39.39 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -57.25 12.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 111.034 -179.99 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p -143.02 164.15 30.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.977 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.46 -57.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 -179.929 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -31.65 72.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tp -66.19 -22.88 66.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.639 HD11 ' HD3' ' A' ' 49' ' ' ARG . 26.1 tp -69.53 -26.29 64.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.33 -62.55 1.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -32.81 41.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.852 HD13 ' HB2' ' A' ' 46' ' ' LEU . 6.0 mt -68.27 -34.5 76.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.371 1.044 . . . . 0.0 109.368 179.927 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.592 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -74.48 -52.81 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.578 ' N ' HD13 ' A' ' 10' ' ' LEU . 50.4 mtp180 -53.98 -55.45 27.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.232 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -50.65 -26.27 5.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.419 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 1.7 t -95.11 -23.5 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -75.19 -44.66 45.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -59.86 -18.96 48.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.419 ' NE ' ' HA ' ' A' ' 13' ' ' SER . 24.7 ptt180 -118.44 51.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.72 -20.97 4.47 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.6 -54.81 1.75 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.21 -118.88 1.06 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mp 57.21 25.77 11.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.358 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 21' ' ' ILE . 19.1 mm -150.67 -45.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 21' ' ' ILE . 11.7 t -36.86 -72.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -122.14 21.05 10.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.4 t -85.24 -82.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.95 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.715 HD11 ' HB2' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -77.78 -14.11 59.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.478 ' HA2' ' CD1' ' A' ' 29' ' ' ILE . . . -78.91 4.62 60.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.558 1.161 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.9 -32.18 73.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.62 65.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.719 HD13 HD12 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -80.72 -52.17 0.92 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -74.98 -2.53 12.65 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -95.88 19.3 11.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.225 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.5 m 60.73 35.39 19.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 53.25 41.15 32.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.96 -15.88 60.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.0 47.88 0.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.374 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -161.27 -98.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.7 m 57.25 63.15 1.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.09 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.4 t 175.01 -41.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 0.0 110.038 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.472 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 2.9 mpp_? -142.97 34.57 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.715 ' HB2' HD11 ' A' ' 25' ' ' LEU . . . -130.8 6.16 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.523 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -80.33 -50.02 1.15 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.039 -179.968 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.792 ' O ' HD11 ' A' ' 9' ' ' LEU . 18.3 Cg_endo -75.02 -34.12 4.04 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.521 1.8 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 1.3 mttt -85.6 -34.73 21.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -40.71 -54.02 3.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.489 ' HE1' HD13 ' A' ' 6' ' ' LEU . 57.2 t80 -44.8 -35.91 2.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 110.947 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.852 ' HB2' HD13 ' A' ' 9' ' ' LEU . 16.6 tp -82.8 -31.89 27.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.719 HD12 HD13 ' A' ' 29' ' ' ILE . 2.6 mm? -72.48 -33.17 66.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -63.99 -41.4 97.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.639 ' HD3' HD11 ' A' ' 6' ' ' LEU . 0.8 OUTLIER -63.51 -36.29 83.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 110.332 179.953 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.8 -31.85 66.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.419 HG21 ' HB ' ' A' ' 29' ' ' ILE . 53.8 t -81.4 -39.39 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -57.25 12.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 111.034 -179.99 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p -143.02 164.15 30.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.977 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.46 -57.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -31.65 72.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tp -66.19 -22.88 66.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.639 HD11 ' HD3' ' A' ' 49' ' ' ARG . 26.1 tp -69.53 -26.29 64.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.33 -62.55 1.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -32.81 41.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.852 HD13 ' HB2' ' A' ' 46' ' ' LEU . 6.0 mt -68.27 -34.5 76.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.371 1.044 . . . . 0.0 109.368 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.592 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -74.48 -52.81 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.578 ' N ' HD13 ' A' ' 10' ' ' LEU . 50.4 mtp180 -53.98 -55.45 27.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.232 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -50.65 -26.27 5.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.419 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 1.7 t -95.11 -23.5 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -75.19 -44.66 45.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -59.86 -18.96 48.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.419 ' NE ' ' HA ' ' A' ' 13' ' ' SER . 24.7 ptt180 -118.44 51.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.72 -20.97 4.47 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.6 -54.81 1.75 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.21 -118.88 1.06 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mp 57.21 25.77 11.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.358 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 21' ' ' ILE . 19.1 mm -150.67 -45.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 21' ' ' ILE . 11.7 t -36.86 -72.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -122.14 21.05 10.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.4 t -85.24 -82.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.95 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.715 HD11 ' HB2' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -77.78 -14.11 59.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.478 ' HA2' ' CD1' ' A' ' 29' ' ' ILE . . . -78.91 4.62 60.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.558 1.161 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.9 -32.18 73.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.62 65.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.719 HD13 HD12 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -80.72 -52.17 0.92 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -74.98 -2.53 12.65 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -95.88 19.3 11.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.225 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.5 m 60.73 35.39 19.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 53.25 41.15 32.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.96 -15.88 60.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.0 47.88 0.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.374 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -161.27 -98.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.7 m 57.25 63.15 1.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.09 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.4 t 175.01 -41.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 0.0 110.038 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.472 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 2.9 mpp_? -142.97 34.57 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.715 ' HB2' HD11 ' A' ' 25' ' ' LEU . . . -130.8 6.16 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.523 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -80.33 -50.02 1.15 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.039 -179.968 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.792 ' O ' HD11 ' A' ' 9' ' ' LEU . 18.3 Cg_endo -75.02 -34.12 4.04 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.521 1.8 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 1.3 mttt -85.6 -34.73 21.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -40.71 -54.02 3.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.489 ' HE1' HD13 ' A' ' 6' ' ' LEU . 57.2 t80 -44.8 -35.91 2.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 110.947 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.852 ' HB2' HD13 ' A' ' 9' ' ' LEU . 16.6 tp -82.8 -31.89 27.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.719 HD12 HD13 ' A' ' 29' ' ' ILE . 2.6 mm? -72.48 -33.17 66.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -63.99 -41.4 97.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.639 ' HD3' HD11 ' A' ' 6' ' ' LEU . 0.8 OUTLIER -63.51 -36.29 83.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 110.332 179.953 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.8 -31.85 66.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.419 HG21 ' HB ' ' A' ' 29' ' ' ILE . 53.8 t -81.4 -39.39 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -57.25 12.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 111.034 -179.99 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p -143.02 164.15 30.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.977 -179.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.46 -57.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -31.65 72.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tp -66.19 -22.88 66.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.639 HD11 ' HD3' ' A' ' 49' ' ' ARG . 26.1 tp -69.53 -26.29 64.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.33 -62.55 1.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -32.81 41.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.852 HD13 ' HB2' ' A' ' 46' ' ' LEU . 6.0 mt -68.27 -34.5 76.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.371 1.044 . . . . 0.0 109.368 179.927 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.592 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -74.48 -52.81 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.578 ' N ' HD13 ' A' ' 10' ' ' LEU . 50.4 mtp180 -53.98 -55.45 27.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.232 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -50.65 -26.27 5.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.419 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 1.7 t -95.11 -23.5 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -75.19 -44.66 45.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -59.86 -18.96 48.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.419 ' NE ' ' HA ' ' A' ' 13' ' ' SER . 24.7 ptt180 -118.44 51.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.72 -20.97 4.47 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.6 -54.81 1.75 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.21 -118.88 1.06 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mp 57.21 25.77 11.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.358 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 21' ' ' ILE . 19.1 mm -150.67 -45.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 21' ' ' ILE . 11.7 t -36.86 -72.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -122.14 21.05 10.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.4 t -85.24 -82.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.95 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.715 HD11 ' HB2' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -77.78 -14.11 59.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.478 ' HA2' ' CD1' ' A' ' 29' ' ' ILE . . . -78.91 4.62 60.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.558 1.161 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.9 -32.18 73.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.62 65.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.719 HD13 HD12 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -80.72 -52.17 0.92 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -74.98 -2.53 12.65 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -95.88 19.3 11.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.225 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.5 m 60.73 35.39 19.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 53.25 41.15 32.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.96 -15.88 60.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.0 47.88 0.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.374 179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -161.27 -98.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.7 m 57.25 63.15 1.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.09 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.4 t 175.01 -41.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 0.0 110.038 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.472 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 2.9 mpp_? -142.97 34.57 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.715 ' HB2' HD11 ' A' ' 25' ' ' LEU . . . -130.8 6.16 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.523 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -80.33 -50.02 1.15 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.039 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.792 ' O ' HD11 ' A' ' 9' ' ' LEU . 18.3 Cg_endo -75.02 -34.12 4.04 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.521 1.8 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 1.3 mttt -85.6 -34.73 21.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -40.71 -54.02 3.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.489 ' HE1' HD13 ' A' ' 6' ' ' LEU . 57.2 t80 -44.8 -35.91 2.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 110.947 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.852 ' HB2' HD13 ' A' ' 9' ' ' LEU . 16.6 tp -82.8 -31.89 27.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.719 HD12 HD13 ' A' ' 29' ' ' ILE . 2.6 mm? -72.48 -33.17 66.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -63.99 -41.4 97.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.639 ' HD3' HD11 ' A' ' 6' ' ' LEU . 0.8 OUTLIER -63.51 -36.29 83.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 110.332 179.953 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.8 -31.85 66.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.419 HG21 ' HB ' ' A' ' 29' ' ' ILE . 53.8 t -81.4 -39.39 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -57.25 12.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 111.034 -179.99 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p -143.02 164.15 30.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.977 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.46 -57.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -31.65 72.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tp -66.19 -22.88 66.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.639 HD11 ' HD3' ' A' ' 49' ' ' ARG . 26.1 tp -69.53 -26.29 64.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.33 -62.55 1.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -32.81 41.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.852 HD13 ' HB2' ' A' ' 46' ' ' LEU . 6.0 mt -68.27 -34.5 76.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.371 1.044 . . . . 0.0 109.368 179.927 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.592 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -74.48 -52.81 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.578 ' N ' HD13 ' A' ' 10' ' ' LEU . 50.4 mtp180 -53.98 -55.45 27.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.232 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -50.65 -26.27 5.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.419 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 1.7 t -95.11 -23.5 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -75.19 -44.66 45.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -59.86 -18.96 48.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.419 ' NE ' ' HA ' ' A' ' 13' ' ' SER . 24.7 ptt180 -118.44 51.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.72 -20.97 4.47 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.6 -54.81 1.75 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.21 -118.88 1.06 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mp 57.21 25.77 11.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.358 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 21' ' ' ILE . 19.1 mm -150.67 -45.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 21' ' ' ILE . 11.7 t -36.86 -72.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -122.14 21.05 10.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.4 t -85.24 -82.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.95 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.715 HD11 ' HB2' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -77.78 -14.11 59.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.478 ' HA2' ' CD1' ' A' ' 29' ' ' ILE . . . -78.91 4.62 60.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.558 1.161 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.9 -32.18 73.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.62 65.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.719 HD13 HD12 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -80.72 -52.17 0.92 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -74.98 -2.53 12.65 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -95.88 19.3 11.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.225 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.5 m 60.73 35.39 19.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 53.25 41.15 32.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.96 -15.88 60.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.0 47.88 0.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.374 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -161.27 -98.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.7 m 57.25 63.15 1.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.09 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.4 t 175.01 -41.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 0.0 110.038 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.472 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 2.9 mpp_? -142.97 34.57 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.715 ' HB2' HD11 ' A' ' 25' ' ' LEU . . . -130.8 6.16 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.523 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -80.33 -50.02 1.15 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.039 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.792 ' O ' HD11 ' A' ' 9' ' ' LEU . 18.3 Cg_endo -75.02 -34.12 4.04 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.521 1.8 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 1.3 mttt -85.6 -34.73 21.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' LEU . . . -40.71 -54.02 3.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.489 ' HE1' HD13 ' A' ' 6' ' ' LEU . 57.2 t80 -44.8 -35.91 2.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 110.947 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.852 ' HB2' HD13 ' A' ' 9' ' ' LEU . 16.6 tp -82.8 -31.89 27.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.719 HD12 HD13 ' A' ' 29' ' ' ILE . 2.6 mm? -72.48 -33.17 66.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -63.99 -41.4 97.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.639 ' HD3' HD11 ' A' ' 6' ' ' LEU . 0.8 OUTLIER -63.51 -36.29 83.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 110.332 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.8 -31.85 66.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.419 HG21 ' HB ' ' A' ' 29' ' ' ILE . 53.8 t -81.4 -39.39 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -57.25 12.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 111.034 -179.99 . . . . . . . . 0 0 . 1 stop_ save_