data_1oyi_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 1oyi _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 ' 15' ' ' ASN . . . . . 0.519 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.49 -42.42 98.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.55 -40.0 92.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.0 mt -75.95 -32.76 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.241 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.519 ' CG2' ' O ' ' A' ' 15' ' ' ASN . 42.7 t -68.45 -36.54 75.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.42 -38.63 59.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 108.271 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.98 -29.65 68.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.45 -58.35 3.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.431 ' CD1' ' HG2' ' A' ' 72' ' ' MET . 0.0 OUTLIER -48.06 -46.63 12.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.35 -53.63 49.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -50.85 -25.25 4.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.554 ' CG2' ' CB ' ' A' ' 29' ' ' GLU . 85.6 mt -87.21 -100.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.408 ' N ' HG21 ' A' ' 26' ' ' ILE . . . 155.57 -78.95 0.19 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.443 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.7 OUTLIER -113.09 -19.68 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.554 ' CB ' ' CG2' ' A' ' 26' ' ' ILE . 0.1 OUTLIER -65.85 -9.26 27.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 29' ' ' GLU . . . 35.94 -155.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.501 1.126 . . . . 0.0 111.046 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -120.04 90.01 3.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.4 t -79.77 -172.48 3.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . -64.57 -73.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -38.66 -46.82 1.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -39.94 -81.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.523 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 9.8 mp -46.36 -51.15 15.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.458 ' CG2' ' HA ' ' A' ' 42' ' ' MET . 24.7 m -46.57 -23.55 0.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.147 . . . . 0.0 110.396 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.66 -40.34 10.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.35 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -58.04 -29.25 65.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.278 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.523 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -108.47 -75.29 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.466 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.3 OUTLIER 176.23 -47.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.466 ' CB ' ' O ' ' A' ' 41' ' ' ASN . 2.8 mtt 163.11 41.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -90.01 55.52 3.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.339 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.439 ' HA ' ' CG1' ' A' ' 47' ' ' VAL . 23.7 mttt -54.17 -21.48 8.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -55.13 37.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.61 -36.31 44.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.439 ' CG1' ' HA ' ' A' ' 44' ' ' LYS . 0.5 OUTLIER -64.45 -25.65 38.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.423 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 47.4 m-20 -82.05 -54.32 5.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -58.23 -32.98 68.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.12 -50.8 17.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.564 ' HB3' ' CZ2' ' A' ' 70' ' ' TRP . 5.8 mp -56.34 -35.22 67.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.262 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.42 ' CD2' ' N ' ' A' ' 53' ' ' ASP . 1.8 t80 -67.43 -54.43 20.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.42 ' N ' ' CD2' ' A' ' 52' ' ' TYR . 0.6 OUTLIER -55.94 -47.27 77.88 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.127 . . . . 0.0 109.256 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.7 mt -64.71 -30.81 71.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -68.03 -34.87 77.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 110.255 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -87.32 -17.86 31.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.158 . . . . 0.0 110.345 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.527 ' OG ' ' CG ' ' A' ' 59' ' ' MET . 20.0 p -79.07 -33.54 44.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.023 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 57' ' ' SER . . . 86.1 16.54 0.12 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.527 ' CG ' ' OG ' ' A' ' 57' ' ' SER . 4.9 mmt -78.4 -31.52 48.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.0 m -126.38 158.98 36.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.102 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.538 ' CG ' ' HA ' ' A' ' 73' ' ' THR . 1.6 m-85 -124.75 -166.36 1.51 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.07 165.33 20.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.99 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.563 ' OG ' ' CZ ' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -79.16 -30.54 43.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.008 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 63' ' ' SER . 3.4 t0 80.36 29.71 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -166.22 162.39 17.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.525 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 12.4 mt -91.12 140.34 25.86 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.7 Cg_endo -74.96 170.4 71.91 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 121.018 -2.492 . . . . 0.0 111.006 -0.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 118.84 5.42 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.456 1.767 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.3 mtm-85 -127.05 131.14 51.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.284 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.564 ' CZ2' ' HB3' ' A' ' 51' ' ' LEU . 76.5 m95 -82.63 120.78 25.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 107.981 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.563 ' CZ ' ' OG ' ' A' ' 63' ' ' SER . 7.2 m-30 -113.54 -169.68 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.569 ' O ' ' CG2' ' A' ' 73' ' ' THR . 0.3 OUTLIER -114.44 97.8 6.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.569 ' CG2' ' O ' ' A' ' 72' ' ' MET . 9.2 t 55.89 157.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.393 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.511 ' N ' ' CD2' ' A' ' 61' ' ' TYR . 14.9 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.397 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 18' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.65 -40.71 2.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 18' ' ' ILE . 12.9 pt-20 -63.06 -45.97 89.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 15' ' ' ASN . 23.5 mt -72.41 -54.85 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.8 t -44.62 -40.79 2.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.444 ' HA ' HG21 ' A' ' 23' ' ' ILE . 2.6 m -67.45 -65.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 108.3 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' CYS . 4.3 tt0 -39.05 -29.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 110.299 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 20' ' ' CYS . . . -75.31 -67.29 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.444 HG21 ' HA ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -51.31 -21.8 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -75.93 -51.18 13.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.332 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 m -56.58 -33.23 65.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.409 ' CG2' ' HB3' ' A' ' 29' ' ' GLU . 42.6 mm -55.76 -100.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 137.25 -69.34 0.51 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.517 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -117.24 -31.82 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.76 . . . . 0.0 109.329 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.409 ' HB3' ' CG2' ' A' ' 26' ' ' ILE . 0.9 OUTLIER -65.61 -8.72 21.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.488 ' HA3' ' CD1' ' A' ' 71' ' ' PHE . . . 36.56 -155.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.43 94.89 3.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 0.735 . . . . 0.0 109.261 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.7 t -80.08 -157.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.358 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . -79.18 -71.18 0.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -38.89 -50.05 1.7 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 38' ' ' ARG . 1.2 mt-30 -38.44 -78.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.52 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 9.6 mp -47.0 -49.2 21.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 41' ' ' ASN . 22.3 m -51.4 -20.05 1.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 110.405 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 35' ' ' GLN . 1.0 OUTLIER -94.1 -36.52 12.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -29.62 70.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.52 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -110.36 -66.12 1.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.431 ' O ' ' HB2' ' A' ' 42' ' ' MET . 0.3 OUTLIER 167.39 -57.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.431 ' HB2' ' O ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER 175.94 36.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 111.016 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.479 ' CB ' HD12 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -82.07 51.52 1.78 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.8 OUTLIER -51.79 -22.98 4.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.77 -50.82 65.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.436 ' CG ' ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -78.79 -35.18 44.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.519 ' CG2' ' CD2' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -69.79 -24.88 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 14.1 t30 -81.11 -54.44 5.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.2 tttm -59.06 -33.25 70.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.73 -50.56 23.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.574 ' HB3' ' CZ2' ' A' ' 70' ' ' TRP . 5.0 mp -57.22 -34.19 68.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.41 ' CD2' ' N ' ' A' ' 53' ' ' ASP . 1.8 t80 -67.49 -53.74 26.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.41 ' N ' ' CD2' ' A' ' 52' ' ' TYR . 1.3 t0 -56.97 -50.78 71.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 31.4 mt -56.66 -38.88 72.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -60.32 -46.31 90.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -74.78 -16.54 60.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 110.303 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.495 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 19.2 m -85.46 -34.16 21.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.025 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 57' ' ' SER . . . 84.54 21.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.436 ' HG3' ' CB ' ' A' ' 57' ' ' SER . 1.0 OUTLIER -80.02 -14.64 58.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 110.947 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.4 m -145.51 164.59 11.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.533 ' CG ' ' HA ' ' A' ' 73' ' ' THR . 1.9 m-85 -125.7 -167.12 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.964 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.0 t -127.03 158.62 36.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.148 . . . . 0.0 109.946 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.465 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 5.2 t -73.55 -33.64 64.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 63' ' ' SER . 1.1 t70 79.52 38.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -169.21 167.67 10.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.513 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 1.3 mp -99.48 137.21 20.26 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.1 Cg_endo -75.01 171.0 70.32 Favored 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.99 -2.504 . . . . 0.0 110.991 -0.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 131.92 14.88 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.793 . . . . 0.0 111.048 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.426 ' NH1' ' HG2' ' A' ' 67' ' ' PRO . 8.8 mtm-85 -138.53 138.87 38.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.574 ' CZ2' ' HB3' ' A' ' 51' ' ' LEU . 61.9 m95 -89.63 120.68 31.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 108.0 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.517 ' CZ ' ' O ' ' A' ' 28' ' ' ILE . 4.3 m-30 -114.05 -169.44 1.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.1 ttp -115.59 101.19 8.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 111.025 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.533 ' HA ' ' CG ' ' A' ' 61' ' ' TYR . 1.6 t 40.51 72.14 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.369 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.7 t . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 110.388 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -40.99 -33.29 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.422 ' CG ' ' N ' ' A' ' 18' ' ' ILE . 13.5 pt-20 -67.28 -49.89 62.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 15' ' ' ASN . 14.5 mm -72.05 -42.44 67.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 88.9 t -56.03 -43.85 76.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.447 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 22.7 t -68.58 -48.97 62.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 108.282 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -26.66 21.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.43 ' C ' ' N ' ' A' ' 24' ' ' LYS . . . -84.9 -69.03 0.68 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.447 ' CG2' ' HA ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -44.13 -27.55 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.43 ' N ' ' C ' ' A' ' 22' ' ' ALA . 0.9 OUTLIER -82.09 -55.8 4.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 m -51.12 -26.2 6.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.423 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.508 ' CG2' ' CB ' ' A' ' 29' ' ' GLU . 72.2 mt -73.04 -100.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.435 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 148.76 -75.04 0.27 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.493 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.7 OUTLIER -112.91 -25.76 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 0.758 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.508 ' CB ' ' CG2' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -65.8 -9.32 27.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.265 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.501 ' HA3' ' CE1' ' A' ' 71' ' ' PHE . . . 36.24 -155.15 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.485 1.115 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.41 94.76 3.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 109.347 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.443 ' CB ' ' HG3' ' A' ' 69' ' ' ARG . 1.3 t -79.39 -179.18 6.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.395 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.429 ' N ' HG21 ' A' ' 32' ' ' THR . . . -61.01 -67.07 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 35' ' ' GLN . . . -39.84 -50.38 2.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 34' ' ' ALA . 0.2 OUTLIER -37.17 -82.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.514 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 8.9 mp -44.78 -51.87 8.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.474 ' CG2' ' HG2' ' A' ' 42' ' ' MET . 5.3 m -44.41 -26.48 0.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.406 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.401 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -89.61 -45.84 9.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -51.83 -29.1 18.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.335 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.514 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -109.76 -78.21 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.466 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.2 OUTLIER 178.9 -47.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.474 ' HG2' ' CG2' ' A' ' 37' ' ' THR . 2.3 mtm 162.71 41.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.495 ' CB ' ' OE1' ' A' ' 46' ' ' GLU . 2.3 mm-40 -83.26 52.94 2.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.484 ' HA ' ' CG1' ' A' ' 47' ' ' VAL . 5.9 tttp -45.06 -27.23 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.412 ' N ' ' C ' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -65.96 -49.03 69.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 110.305 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.495 ' OE1' ' CB ' ' A' ' 43' ' ' GLU . 4.3 pt-20 -77.31 -37.18 53.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.516 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -68.1 -28.59 41.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.531 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 9.7 m-20 -75.27 -59.86 2.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -55.81 -29.56 59.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.03 -58.2 3.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.657 ' CD1' ' CE2' ' A' ' 70' ' ' TRP . 0.6 OUTLIER -49.69 -42.97 46.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.531 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 17.9 m-85 -62.2 -67.95 0.37 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -41.72 -50.19 4.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.2 mt -60.28 -41.77 94.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 52' ' ' TYR . 2.7 tp-100 -58.31 -49.82 75.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.256 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -70.75 -18.89 62.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.513 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 8.5 m -84.72 -32.7 23.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.973 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 57' ' ' SER . . . 84.98 21.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.73 -18.73 58.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.4 m -144.33 166.21 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.543 ' CG ' ' HA ' ' A' ' 73' ' ' THR . 1.9 m-85 -126.46 -169.24 1.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.6 141.45 49.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.507 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 1.0 OUTLIER -52.12 -39.8 60.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.004 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 63' ' ' SER . 1.5 t70 82.44 20.84 0.26 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.08 161.65 41.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.242 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.525 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 5.8 tt -92.95 135.92 25.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.2 Cg_endo -75.06 157.77 99.34 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.006 -2.497 . . . . 0.0 110.982 0.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 138.87 23.61 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 110.983 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.443 ' HG3' ' CB ' ' A' ' 32' ' ' THR . 1.3 mpt_? -148.75 141.23 24.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.657 ' CE2' ' CD1' ' A' ' 51' ' ' LEU . 86.5 m95 -82.74 117.85 22.95 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.501 ' CE1' ' HA3' ' A' ' 30' ' ' GLY . 6.4 m-30 -111.43 -170.12 1.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.526 ' CG ' ' O ' ' A' ' 72' ' ' MET . 1.8 ptt? -114.96 101.52 9.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.543 ' HA ' ' CG ' ' A' ' 61' ' ' TYR . 9.2 t 32.35 85.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.379 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.2 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.378 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.419 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.93 -38.49 3.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 18' ' ' ILE . 13.8 pt-20 -64.05 -46.39 84.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.42 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 2.9 mm -71.52 -34.27 52.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.419 ' CG2' ' O ' ' A' ' 15' ' ' ASN . 8.7 t -66.65 -34.84 72.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -74.01 -40.79 62.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 108.276 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.42 -28.01 67.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.258 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.495 ' CB ' ' OE1' ' A' ' 39' ' ' GLN . . . -78.53 -60.9 2.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.443 HD12 ' CA ' ' A' ' 71' ' ' PHE . 11.5 tt -46.89 -41.52 5.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.356 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -69.46 -50.98 40.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.71 -27.88 19.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.446 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.407 ' CG2' ' N ' ' A' ' 27' ' ' GLY . 67.6 mt -72.03 -101.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.407 ' N ' ' CG2' ' A' ' 26' ' ' ILE . . . 151.56 -78.11 0.21 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.115 . . . . 0.0 110.969 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.518 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -116.31 -27.73 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -62.74 -11.87 20.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.446 ' HA3' ' CE1' ' A' ' 71' ' ' PHE . . . 33.97 -151.73 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.478 ' HB1' ' CD1' ' A' ' 36' ' ' LEU . . . -130.2 98.59 4.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 0.794 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 34' ' ' ALA . 15.1 t -93.37 67.22 4.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.477 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . 64.12 -76.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.477 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -33.41 -53.54 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' ALA . 1.4 mm100 -37.58 -71.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.53 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 9.7 mp -51.7 -45.69 63.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.441 ' CG2' ' HA ' ' A' ' 42' ' ' MET . 60.0 m -54.2 -19.21 4.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.39 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.6 mtt-85 -96.01 -33.95 11.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.143 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.495 ' OE1' ' CB ' ' A' ' 22' ' ' ALA . 0.6 OUTLIER -63.42 -29.09 70.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.53 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -109.83 -78.65 0.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.47 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.2 OUTLIER 179.77 -42.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.47 ' CB ' ' O ' ' A' ' 41' ' ' ASN . 3.9 mtt 162.97 41.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.941 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.463 ' CB ' HD13 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -95.84 54.97 1.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.485 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 12.1 ttmt -49.21 -19.35 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.457 ' N ' ' C ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -67.97 -47.6 68.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 47' ' ' VAL . 0.2 OUTLIER -73.01 -36.37 66.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.24 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.485 ' CG2' ' HA ' ' A' ' 44' ' ' LYS . 1.0 OUTLIER -75.03 -25.86 18.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.549 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 21.6 m-20 -71.74 -56.73 5.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -62.68 -32.52 73.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.02 -42.23 66.6 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.564 ' HB3' ' CZ2' ' A' ' 70' ' ' TRP . 0.2 OUTLIER -64.8 -48.8 73.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.549 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 24.1 m-85 -55.86 -65.72 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -44.19 -54.52 5.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.3 mt -56.94 -34.7 68.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -57.91 -49.19 77.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.337 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.72 -18.41 60.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.432 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 66.2 m -79.19 -29.28 42.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.965 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 57' ' ' SER . . . 79.36 10.32 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.9 tpt -70.64 -28.08 64.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 111.04 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.8 m -123.96 167.91 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.562 ' CD1' ' HA ' ' A' ' 73' ' ' THR . 1.8 m-85 -127.4 -170.33 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.6 t -137.46 168.37 19.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.03 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 t -80.23 -23.91 40.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.009 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 t0 73.99 22.1 2.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.23 168.62 25.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.523 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 1.2 tp -97.34 137.48 21.15 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.2 Cg_endo -75.02 172.22 64.13 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.019 -2.492 . . . . 0.0 110.959 0.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 118.02 5.12 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.534 1.807 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -117.41 124.61 49.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.564 ' CZ2' ' HB3' ' A' ' 51' ' ' LEU . 66.3 m95 -82.86 118.29 23.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 108.037 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.518 ' CZ ' ' O ' ' A' ' 28' ' ' ILE . 4.8 m-30 -114.85 -170.57 1.77 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.472 ' O ' ' CG2' ' A' ' 73' ' ' THR . 0.1 OUTLIER -119.17 99.95 7.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 111.055 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.562 ' HA ' ' CD1' ' A' ' 61' ' ' TYR . 4.6 t 45.36 54.43 7.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.392 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.468 ' N ' ' CD2' ' A' ' 61' ' ' TYR . 15.2 t . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.409 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 18' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.44 -36.31 1.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -65.06 -47.46 77.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 15' ' ' ASN . 16.8 mm -72.96 -27.62 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.4 t -66.14 -45.25 90.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.456 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 14.0 p -73.1 -33.81 65.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 108.305 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -30.67 70.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.76 -61.11 2.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.456 ' CG2' ' HA ' ' A' ' 20' ' ' CYS . 8.5 tt -47.87 -39.82 8.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.69 -49.01 57.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.3 m -56.08 -27.72 54.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.384 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.449 ' CD1' ' O ' ' A' ' 30' ' ' GLY . 21.4 mt -72.72 -99.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.418 ' N ' HG21 ' A' ' 26' ' ' ILE . . . 138.72 -69.43 0.49 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.444 1.09 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.52 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -115.48 -30.13 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 0.744 . . . . 0.0 109.325 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.418 ' CB ' ' CG2' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -66.5 -8.47 26.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.477 ' HA3' ' CE1' ' A' ' 71' ' ' PHE . . . 36.6 -155.23 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -132.87 92.76 3.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 0.783 . . . . 0.0 109.248 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.405 HG23 ' N ' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -80.0 174.29 11.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.394 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 36' ' ' LEU . . . -61.57 -62.03 2.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.1 -39.37 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -72.43 -41.67 65.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.513 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -71.4 -6.85 43.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.251 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.465 ' CG2' ' HG3' ' A' ' 42' ' ' MET . 54.1 m -110.54 -21.94 11.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.07 -48.25 7.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -29.97 48.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.513 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -107.73 -80.7 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.41 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.3 OUTLIER 179.62 -50.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.465 ' HG3' ' CG2' ' A' ' 37' ' ' THR . 0.0 OUTLIER 166.71 39.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.956 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -88.18 53.94 2.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.538 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 20.8 tptt -56.4 -22.81 33.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -51.66 61.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -79.16 -34.55 43.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.467 HG12 ' CD1' ' A' ' 51' ' ' LEU . 1.0 OUTLIER -70.52 -23.63 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.538 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 5.3 t-20 -83.42 -48.08 10.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? -65.05 -33.3 75.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.8 -46.87 28.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.552 ' HB3' ' CH2' ' A' ' 70' ' ' TRP . 56.3 mt -65.19 -28.59 69.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.484 ' CE2' ' NH1' ' A' ' 56' ' ' ARG . 1.6 t80 -72.32 -50.52 26.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.409 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 0.9 OUTLIER -61.14 -40.2 92.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.1 mt -64.08 -43.58 95.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.49 -50.75 72.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.484 ' NH1' ' CE2' ' A' ' 52' ' ' TYR . 1.0 OUTLIER -71.55 -19.6 62.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.495 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 57.9 m -83.1 -31.75 27.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.028 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 57' ' ' SER . . . 84.56 18.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -78.24 -19.66 53.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.401 HG23 ' N ' ' A' ' 61' ' ' TYR . 8.1 m -136.93 -157.58 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.409 ' CG ' ' N ' ' A' ' 62' ' ' SER . 5.7 t80 -174.33 -174.24 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.409 ' N ' ' CG ' ' A' ' 61' ' ' TYR . 0.1 OUTLIER -119.5 154.88 33.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.995 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.0 t -69.02 -16.08 63.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.1 t0 63.22 30.14 15.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -166.75 163.77 16.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.531 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 23.6 mt -89.55 141.13 28.44 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.4 Cg_endo -75.05 166.67 82.64 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 120.98 -2.508 . . . . 0.0 110.993 0.021 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 110.91 3.21 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.488 1.783 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.3 mtt180 -128.23 139.68 52.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.552 ' CH2' ' HB3' ' A' ' 51' ' ' LEU . 58.4 m95 -83.78 120.52 26.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 108.016 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.52 ' CZ ' ' O ' ' A' ' 28' ' ' ILE . 4.3 m-30 -114.92 -173.52 2.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.495 ' O ' ' C ' ' A' ' 73' ' ' THR . 1.2 ptt? -109.18 76.0 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.495 ' C ' ' O ' ' A' ' 72' ' ' MET . 12.0 t 30.27 68.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.373 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.4 t . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.396 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.489 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 24.5 t30 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.52 -42.32 2.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.4 ' C ' ' OE1' ' A' ' 17' ' ' GLU . 0.6 OUTLIER -71.04 -39.21 72.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.487 ' N ' ' O ' ' A' ' 15' ' ' ASN . 17.4 mm -69.62 -32.13 51.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' A' ' 15' ' ' ASN . 2.6 t -71.08 -40.18 75.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.253 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.457 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 15.3 t -70.43 -37.73 74.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 108.31 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -68.47 -31.91 71.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.5 -59.81 2.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.457 ' CG2' ' HA ' ' A' ' 20' ' ' CYS . 11.5 tt -45.76 -46.02 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.368 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -66.16 -48.05 72.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -55.55 -25.09 35.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 110.401 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.592 ' CG2' ' CB ' ' A' ' 29' ' ' GLU . 23.0 mt -77.18 -100.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.416 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 151.71 -76.32 0.23 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.504 1.128 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.513 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.7 OUTLIER -113.01 -22.52 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.754 . . . . 0.0 109.296 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.592 ' CB ' ' CG2' ' A' ' 26' ' ' ILE . 0.1 OUTLIER -64.93 -10.0 25.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.538 ' HA3' ' CD1' ' A' ' 71' ' ' PHE . . . 36.06 -154.58 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.118 . . . . 0.0 110.955 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.89 96.56 3.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 0.794 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.479 ' O ' ' CD1' ' A' ' 36' ' ' LEU . 7.3 t -80.37 -162.56 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . -81.89 -59.31 2.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -37.44 -59.02 0.8 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.52 -45.32 73.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.137 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.524 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 7.3 mp -66.65 -9.91 40.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.461 ' CG2' ' HA ' ' A' ' 42' ' ' MET . 80.7 m -104.73 -17.71 14.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.368 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -92.32 -52.52 4.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.454 1.096 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.71 -30.14 5.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.332 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.524 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -108.82 -80.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.422 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.3 OUTLIER -179.06 -51.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.461 ' HA ' ' CG2' ' A' ' 37' ' ' THR . 0.0 OUTLIER 165.97 39.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.989 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.82 55.5 1.88 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.528 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 82.7 tttt -58.65 -18.4 30.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.2 mtt-85 -62.25 -54.7 36.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.253 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -76.12 -37.43 58.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.26 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.446 ' CG2' HD21 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -67.52 -24.21 30.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 3.5 t-20 -79.16 -54.67 5.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -59.75 -30.02 68.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.59 -44.75 41.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.508 ' HB3' ' CH2' ' A' ' 70' ' ' TRP . 32.9 mt -62.56 -42.49 99.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.49 ' CD1' ' O ' ' A' ' 48' ' ' ASN . 3.0 m-85 -64.41 -43.89 92.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -63.1 -49.99 72.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.5 mt -58.7 -44.85 90.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 55' ' ' GLN . 0.3 OUTLIER -53.0 -53.62 47.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -19.96 65.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.528 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 32.0 t -81.43 -29.23 33.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.008 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 57' ' ' SER . . . 86.0 31.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -96.61 -15.55 21.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.464 ' CG1' ' O ' ' A' ' 71' ' ' PHE . 2.1 t -143.65 167.8 12.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.55 ' CG ' ' HA ' ' A' ' 73' ' ' THR . 1.6 m-85 -129.08 -172.71 2.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -127.68 150.62 49.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.973 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.57 -29.79 59.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.98 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 68.75 20.83 8.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -139.91 167.87 21.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.526 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -100.38 137.11 19.89 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.3 Cg_endo -75.01 172.48 62.8 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.969 0.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 120.1 5.92 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.493 1.786 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -135.99 141.48 44.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.508 ' CH2' ' HB3' ' A' ' 51' ' ' LEU . 22.0 m95 -90.23 128.41 36.38 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.538 ' CD1' ' HA3' ' A' ' 30' ' ' GLY . 3.5 m-30 -116.28 -169.47 1.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.587 1.18 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.7 tpt -117.13 105.24 12.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.936 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.55 ' HA ' ' CG ' ' A' ' 61' ' ' TYR . 2.4 t 39.83 65.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.45 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.402 ' CG2' ' HB3' ' A' ' 71' ' ' PHE . 13.3 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.464 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 2.3 t-20 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -39.72 -52.03 2.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -62.04 -41.03 97.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.337 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' ASN . 22.0 mt -66.21 -36.63 77.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.464 ' CG2' ' O ' ' A' ' 15' ' ' ASN . 2.6 t -67.97 -33.4 61.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.99 -35.65 62.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 108.261 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -68.53 -32.64 72.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.19 -59.32 2.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.472 ' CD1' ' HG2' ' A' ' 72' ' ' MET . 0.0 OUTLIER -47.68 -44.59 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -61.58 -52.63 63.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -52.88 -26.2 14.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.406 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.474 ' CG2' ' HB2' ' A' ' 29' ' ' GLU . 84.7 mt -78.61 -101.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 153.31 -78.89 0.2 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.418 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -114.11 -22.38 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.474 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 1.9 tt0 -62.87 -11.28 17.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 29' ' ' GLU . . . 36.2 -155.1 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.461 1.1 . . . . 0.0 111.033 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -120.14 87.36 2.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 0.764 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.418 HG23 ' N ' ' A' ' 33' ' ' ALA . 1.2 t -81.36 179.55 7.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.381 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.418 ' N ' HG23 ' A' ' 32' ' ' THR . . . -56.08 -76.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 35' ' ' GLN . . . -38.93 -47.57 1.46 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.649 ' NE2' HE22 ' A' ' 39' ' ' GLN . 0.0 OUTLIER -37.79 -78.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.293 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.511 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 10.4 mp -46.85 -49.16 20.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.479 ' CG2' ' HA ' ' A' ' 42' ' ' MET . 98.9 m -49.73 -21.81 1.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.424 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.3 -38.38 11.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.649 HE22 ' NE2' ' A' ' 35' ' ' GLN . 1.2 mp0 -61.57 -30.41 70.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.256 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -110.56 -69.62 0.86 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 37' ' ' THR . 0.3 OUTLIER 172.35 -56.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.479 ' HA ' ' CG2' ' A' ' 37' ' ' THR . 4.8 ttp 176.38 35.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -87.35 51.88 2.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 110.266 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.474 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 13.5 ttmt -47.9 -21.74 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 46' ' ' GLU . 1.1 ptm180 -68.59 -39.31 80.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -81.54 -35.86 29.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.505 ' O ' ' CD1' ' A' ' 51' ' ' LEU . 1.0 OUTLIER -74.65 -26.44 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 11.9 t-20 -78.78 -53.75 6.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -60.28 -33.73 72.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.12 -39.55 60.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.249 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.555 ' CD2' ' NE1' ' A' ' 70' ' ' TRP . 4.1 mp -63.78 -41.38 97.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.411 ' CD1' ' N ' ' A' ' 53' ' ' ASP . 1.3 t80 -65.72 -51.22 61.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.411 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 0.4 OUTLIER -58.63 -57.62 12.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.1 mt -53.87 -38.88 65.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -61.77 -46.58 88.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.262 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.407 ' CD ' ' O ' ' A' ' 52' ' ' TYR . 0.5 OUTLIER -68.39 -20.9 64.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.506 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 43.1 t -83.15 -32.57 26.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.933 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 57' ' ' SER . . . 85.83 26.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -87.59 -16.28 34.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.1 t -137.55 164.97 27.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.55 ' CG ' ' HA ' ' A' ' 73' ' ' THR . 1.6 m-85 -128.19 -172.01 2.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.5 t -127.44 161.38 28.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.039 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -90.11 -8.14 52.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.996 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 51.96 43.19 30.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.357 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -164.03 166.44 21.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.495 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 22.6 mt -101.69 136.78 19.5 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.2 Cg_endo -75.03 173.4 58.11 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.963 -2.515 . . . . 0.0 110.975 0.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 108.41 2.71 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.486 1.782 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.427 ' NH1' ' HG2' ' A' ' 67' ' ' PRO . 6.9 mtt85 -114.84 119.93 38.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.555 ' NE1' ' CD2' ' A' ' 51' ' ' LEU . 57.5 m95 -79.05 122.67 26.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 108.021 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.418 ' CZ ' ' O ' ' A' ' 28' ' ' ILE . 6.0 m-30 -113.47 -169.47 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.472 ' HG2' ' CD1' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -117.03 99.92 7.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.976 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.55 ' HA ' ' CG ' ' A' ' 61' ' ' TYR . 1.8 t 42.36 69.4 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.416 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.349 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.494 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 2.2 p30 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.79 -44.8 14.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.494 ' OE2' ' CD1' ' A' ' 18' ' ' ILE . 0.8 OUTLIER -61.57 -37.33 83.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.26 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.494 ' CD1' ' OE2' ' A' ' 17' ' ' GLU . 38.3 mm -78.15 -32.74 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.554 ' CG1' ' CD1' ' A' ' 54' ' ' LEU . 3.4 t -70.63 -32.94 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m -81.49 -40.03 23.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 108.29 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -68.19 -32.3 72.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 110.295 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.85 -61.01 2.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.477 ' CD1' ' HB2' ' A' ' 72' ' ' MET . 0.0 OUTLIER -48.85 -38.67 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -49.85 50.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.9 m -53.86 -26.39 24.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.477 ' CG2' ' HB3' ' A' ' 29' ' ' GLU . 91.7 mt -68.11 -101.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.471 ' N ' ' CG2' ' A' ' 26' ' ' ILE . . . 143.26 -76.98 0.29 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.454 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -119.2 -21.83 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.788 . . . . 0.0 109.323 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.477 ' HB3' ' CG2' ' A' ' 26' ' ' ILE . 7.2 tt0 -68.27 -6.15 22.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.507 ' HA3' ' CE1' ' A' ' 71' ' ' PHE . . . 35.81 -154.32 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.544 1.152 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -135.88 90.96 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 68' ' ' PRO . 0.6 OUTLIER -90.23 170.03 10.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.402 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . -43.84 -74.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 35' ' ' GLN . . . -38.12 -54.44 1.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.49 ' NE2' ' NE2' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -36.05 -80.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.424 ' CD2' ' HB ' ' A' ' 47' ' ' VAL . 9.5 mp -44.91 -52.27 8.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.462 ' CG2' ' HA ' ' A' ' 42' ' ' MET . 20.5 m -45.08 -24.98 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.403 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.407 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -91.42 -40.52 11.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.49 ' NE2' ' NE2' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -58.6 -29.64 66.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.458 HD11 ' CB ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -113.69 -70.73 0.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.428 ' O ' ' HB2' ' A' ' 42' ' ' MET . 0.2 OUTLIER 172.67 -56.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.288 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.484 ' O ' ' CG ' ' A' ' 42' ' ' MET . 0.2 OUTLIER 177.05 36.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.993 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.458 ' CB ' HD11 ' A' ' 40' ' ' LEU . 5.7 tt0 -85.68 51.93 2.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.342 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.476 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 22.6 tttt -45.86 -23.46 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.446 ' N ' ' C ' ' A' ' 43' ' ' GLU . 2.6 mtm180 -67.74 -44.31 77.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 110.236 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 43' ' ' GLU . 0.8 OUTLIER -75.66 -37.58 59.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.476 ' CG2' ' HA ' ' A' ' 44' ' ' LYS . 1.0 OUTLIER -72.23 -27.47 26.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.558 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 0.8 OUTLIER -73.42 -58.74 3.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -60.25 -30.12 69.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 46' ' ' GLU . . . -75.2 -44.88 43.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.571 ' HB3' ' CZ2' ' A' ' 70' ' ' TRP . 0.2 OUTLIER -62.66 -42.02 99.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 109.323 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.558 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 24.8 m-85 -64.32 -67.02 0.47 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 111.045 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -43.01 -48.3 5.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.554 ' CD1' ' CG1' ' A' ' 19' ' ' VAL . 12.1 mt -63.07 -39.4 94.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' TYR . 2.5 tt0 -59.51 -51.05 71.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -69.53 -21.92 63.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.509 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 1.7 m -82.33 -30.22 30.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.041 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 57' ' ' SER . . . 85.36 23.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.475 ' HE2' ' CD2' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -83.68 -11.42 57.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.7 m -152.18 161.42 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.546 ' CD2' ' HA ' ' A' ' 73' ' ' THR . 1.9 m-85 -125.2 -167.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.4 t -126.47 160.35 30.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.989 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -86.23 -25.41 25.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.051 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 75.05 22.85 1.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -143.11 173.74 11.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.519 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -106.83 137.88 19.62 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.2 Cg_endo -75.0 173.14 59.46 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.996 0.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.406 ' O ' ' OG1' ' A' ' 32' ' ' THR . 18.3 Cg_endo -75.05 107.47 2.49 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.492 1.786 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.75 128.24 55.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.571 ' CZ2' ' HB3' ' A' ' 51' ' ' LEU . 59.1 m95 -82.0 125.42 30.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 108.008 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.507 ' CE1' ' HA3' ' A' ' 30' ' ' GLY . 3.8 m-30 -115.36 -169.12 1.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.477 ' HB2' ' CD1' ' A' ' 23' ' ' ILE . 1.0 OUTLIER -112.1 98.14 7.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 110.987 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.546 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 0.8 OUTLIER 37.22 87.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.5 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.392 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.485 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.15 -37.5 22.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -64.76 -47.62 77.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.1 mm -70.25 -34.54 59.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 15' ' ' ASN . 21.4 t -67.84 -35.19 71.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.463 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 49.9 t -78.88 -34.61 44.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 108.287 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -65.83 -33.79 76.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.58 -60.81 2.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.463 ' CG2' ' HA ' ' A' ' 20' ' ' CYS . 17.6 tt -49.35 -39.82 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -69.67 -51.04 38.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.3 m -53.07 -27.14 18.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.36 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.532 ' CG2' ' CB ' ' A' ' 29' ' ' GLU . 13.3 mt -75.86 -100.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.432 ' N ' HG21 ' A' ' 26' ' ' ILE . . . 144.04 -74.2 0.32 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.473 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -114.65 -23.51 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.759 . . . . 0.0 109.293 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.532 ' CB ' ' CG2' ' A' ' 26' ' ' ILE . 1.8 tt0 -67.53 -7.49 26.37 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.481 ' HA3' ' CD1' ' A' ' 71' ' ' PHE . . . 36.75 -155.63 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.464 ' O ' ' CD1' ' A' ' 36' ' ' LEU . . . -121.31 89.27 3.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.9 t -81.19 174.38 11.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.371 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' LEU . . . -55.38 -65.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.345 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -37.83 -61.8 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.408 ' O ' ' NE2' ' A' ' 39' ' ' GLN . 21.0 mt-30 -55.26 -40.23 70.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.524 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 2.3 mt -75.07 -2.51 27.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.462 ' CG2' ' HA ' ' A' ' 42' ' ' MET . 99.7 m -112.1 -15.0 13.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.431 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.18 -33.81 9.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.408 ' NE2' ' O ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -62.1 -29.4 70.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.524 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -104.23 -104.17 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.418 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.5 OUTLIER -161.54 25.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.462 ' HA ' ' CG2' ' A' ' 37' ' ' THR . 0.0 OUTLIER 75.4 41.88 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 111.023 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.438 ' C ' ' N ' ' A' ' 45' ' ' ARG . 8.2 mm-40 -96.22 59.94 1.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.479 ' HA ' ' CG1' ' A' ' 47' ' ' VAL . 7.3 ttpt -45.35 -25.38 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.438 ' N ' ' C ' ' A' ' 43' ' ' GLU . 1.8 mtt85 -63.87 -51.32 65.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.42 ' HG2' ' CB ' ' A' ' 43' ' ' GLU . 7.9 pt-20 -76.07 -37.69 57.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.479 ' CG1' ' HA ' ' A' ' 44' ' ' LYS . 0.4 OUTLIER -67.81 -25.79 33.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.554 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 27.5 m-20 -76.88 -59.81 2.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -52.96 -32.78 47.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.59 -65.79 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.515 ' HG ' ' CE2' ' A' ' 70' ' ' TRP . 4.9 mp -41.43 -42.52 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.554 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 13.2 m-85 -61.98 -67.19 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -44.29 -48.71 9.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.526 ' CD1' ' SD ' ' A' ' 59' ' ' MET . 22.3 mt -58.64 -46.38 87.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -55.18 -38.99 69.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.26 -17.21 50.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.525 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 8.3 t -85.44 -36.76 20.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.021 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 57' ' ' SER . . . 86.05 22.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.526 ' SD ' ' CD1' ' A' ' 54' ' ' LEU . 1.1 ptm -80.78 -19.83 43.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.434 ' N ' ' HG3' ' A' ' 59' ' ' MET . 34.8 m -135.34 163.72 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.535 ' CD2' ' HA ' ' A' ' 73' ' ' THR . 1.8 m-85 -125.37 -166.97 1.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 31.2 t -125.21 168.15 13.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.576 1.173 . . . . 0.0 109.979 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.593 ' OG ' ' CZ ' ' A' ' 71' ' ' PHE . 4.7 m -89.83 -28.84 19.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.995 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.4 ' CB ' ' O ' ' A' ' 63' ' ' SER . 2.7 m-20 75.47 42.35 0.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -170.23 177.56 4.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.528 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 5.1 mp -109.12 139.5 21.04 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.3 Cg_endo -74.96 173.46 57.74 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.059 -0.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 123.73 8.1 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.48 1.779 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 25.0 mtp85 -133.23 138.53 46.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.515 ' CE2' ' HG ' ' A' ' 51' ' ' LEU . 23.1 m95 -91.13 121.11 32.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 108.01 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.593 ' CZ ' ' OG ' ' A' ' 63' ' ' SER . 6.3 m-30 -108.1 -170.4 1.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 111.063 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.48 ' O ' ' C ' ' A' ' 73' ' ' THR . 1.4 ttp -116.53 95.08 4.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.97 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.535 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 12.9 t 32.24 89.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.392 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.9 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.399 179.942 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 18' ' ' ILE . 13.8 t-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.02 -44.32 4.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.429 ' OE1' ' N ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -68.72 -36.96 79.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.46 ' N ' ' O ' ' A' ' 15' ' ' ASN . 14.5 mm -71.74 -49.04 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.0 t -55.11 -41.45 59.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.438 ' HA ' HG22 ' A' ' 23' ' ' ILE . 17.3 t -68.82 -63.47 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 108.299 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -42.12 -27.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.42 ' N ' ' C ' ' A' ' 20' ' ' CYS . . . -78.97 -64.88 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.468 ' CD1' ' HG2' ' A' ' 72' ' ' MET . 0.0 OUTLIER -54.17 -19.01 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.1 -44.07 13.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.88 -32.59 70.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.383 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.434 ' CG2' ' CB ' ' A' ' 29' ' ' GLU . 6.7 mt -68.27 -101.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.418 ' N ' ' CG2' ' A' ' 26' ' ' ILE . . . 155.11 -80.49 0.18 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.424 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.7 OUTLIER -114.04 -18.82 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 0.794 . . . . 0.0 109.276 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.434 ' CB ' ' CG2' ' A' ' 26' ' ' ILE . 1.8 tt0 -67.97 -6.37 21.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.337 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.47 ' HA3' ' CE1' ' A' ' 71' ' ' PHE . . . 37.2 -155.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -124.4 87.61 2.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.458 ' O ' ' CD1' ' A' ' 36' ' ' LEU . 3.6 t -84.27 163.07 19.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.403 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . -53.33 -58.0 8.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -37.27 -65.7 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.79 -42.23 64.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.514 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 2.9 mp -66.03 -10.96 44.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 92.9 m -107.05 -17.36 14.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 110.461 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.9 -51.63 4.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.07 -31.49 7.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.514 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -103.7 -77.98 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.481 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.3 OUTLIER 171.71 -40.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.481 ' CB ' ' O ' ' A' ' 41' ' ' ASN . 2.4 mtt 161.84 40.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.408 ' CB ' HD11 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -92.98 53.21 1.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.34 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.482 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 2.1 tttt -53.34 -19.07 2.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -68.28 -48.49 64.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -71.49 -39.97 70.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.482 ' CG2' ' HA ' ' A' ' 44' ' ' LYS . 1.0 OUTLIER -69.93 -28.37 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.597 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -69.59 -56.09 8.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.322 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.02 -27.47 69.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.94 -37.25 48.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.581 HD23 ' CD1' ' A' ' 70' ' ' TRP . 24.3 mt -71.31 -41.0 70.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.597 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 28.9 m-85 -65.7 -58.68 5.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -51.8 -53.21 42.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.415 ' HB3' ' CG2' ' A' ' 60' ' ' VAL . 12.3 mt -57.62 -44.65 85.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.422 ' NE2' ' HD2' ' A' ' 56' ' ' ARG . 1.8 tt0 -51.5 -51.92 51.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.422 ' HD2' ' NE2' ' A' ' 55' ' ' GLN . 0.2 OUTLIER -72.37 -17.96 61.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.426 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 50.4 m -81.44 -28.38 34.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.426 ' CB ' ' O ' ' A' ' 57' ' ' SER . . . 78.39 15.03 1.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.356 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.5 tpp -77.22 -19.68 56.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.461 1.1 . . . . 0.0 111.034 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.415 ' CG2' ' HB3' ' A' ' 54' ' ' LEU . 15.4 m -136.52 157.78 37.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.545 ' CG ' ' HA ' ' A' ' 73' ' ' THR . 1.9 m-85 -125.66 -168.54 1.86 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 111.041 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.99 160.55 29.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.959 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 52.8 m -87.86 -14.82 38.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.994 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 60.47 25.11 14.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -147.88 169.5 19.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.231 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.526 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 4.9 mp -100.7 140.14 21.13 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.2 Cg_endo -75.01 172.51 62.68 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 121.021 -2.491 . . . . 0.0 111.025 0.004 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 108.81 2.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.522 1.801 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 48.2 mtt180 -124.17 135.16 53.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.581 ' CD1' HD23 ' A' ' 51' ' ' LEU . 51.8 m95 -87.6 122.27 31.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 108.001 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.47 ' CE1' ' HA3' ' A' ' 30' ' ' GLY . 5.9 m-30 -109.44 -169.24 1.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.468 ' HG2' ' CD1' ' A' ' 23' ' ' ILE . 5.7 ptm -114.06 97.2 6.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.966 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.545 ' HA ' ' CG ' ' A' ' 61' ' ' TYR . 9.8 t 32.73 89.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.391 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.0 p . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.371 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.463 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.24 -37.38 4.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 18' ' ' ILE . 13.2 pt-20 -65.88 -46.73 77.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.424 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 13.2 mm -70.87 -29.91 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.463 ' CG2' ' O ' ' A' ' 15' ' ' ASN . 15.6 t -68.98 -40.87 81.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -75.06 -31.45 61.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 108.32 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -69.85 -42.27 73.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.26 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.38 -56.67 5.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.473 ' HA ' ' CD1' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -48.75 -41.8 12.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -68.19 -50.51 53.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -53.62 -28.41 32.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.422 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.483 ' CG2' ' HB3' ' A' ' 29' ' ' GLU . 44.5 mt -65.78 -100.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.451 ' N ' ' CG2' ' A' ' 26' ' ' ILE . . . 138.47 -75.29 0.38 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.562 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -117.45 -26.0 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.483 ' HB3' ' CG2' ' A' ' 26' ' ' ILE . 1.3 tt0 -66.94 -5.26 11.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.584 1.178 . . . . 0.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.538 ' HA3' ' CD1' ' A' ' 71' ' ' PHE . . . 35.31 -154.43 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.473 ' HB1' ' CD1' ' A' ' 36' ' ' LEU . . . -142.47 96.34 2.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.473 ' CB ' ' HB3' ' A' ' 69' ' ' ARG . 0.6 OUTLIER -79.28 -175.89 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.412 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.49 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . -52.9 -77.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.49 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -33.42 -58.53 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -36.31 -85.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.085 . . . . 0.0 110.263 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.551 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 1.5 mp -43.76 -54.85 4.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.2 m -42.22 -25.54 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.399 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.422 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -91.33 -40.26 11.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 36' ' ' LEU . 1.9 mp0 -50.29 -28.37 7.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.551 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -100.98 -105.16 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.436 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.3 OUTLIER -163.86 25.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.253 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.436 ' CB ' ' O ' ' A' ' 41' ' ' ASN . 1.9 ttt 76.81 51.88 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.5 OUTLIER -110.95 69.38 0.68 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.481 ' HA ' ' CG1' ' A' ' 47' ' ' VAL . 10.2 tttt -40.6 -28.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -64.39 -48.97 73.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -78.16 -35.17 49.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.322 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.481 ' CG1' ' HA ' ' A' ' 44' ' ' LYS . 0.4 OUTLIER -70.67 -25.24 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.574 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 23.4 m-20 -79.23 -56.3 4.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.238 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -58.98 -31.81 69.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.18 -52.95 12.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.499 ' HG ' ' CE2' ' A' ' 70' ' ' TRP . 5.6 mp -53.98 -45.96 71.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.574 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 19.5 m-85 -59.68 -67.43 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.55 -50.76 5.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.457 ' CD2' ' HE2' ' A' ' 59' ' ' MET . 11.1 mt -53.8 -41.12 66.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.125 . . . . 0.0 109.352 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 52' ' ' TYR . 30.0 tt0 -66.05 -56.97 8.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.261 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -53.07 -23.47 7.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 110.303 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.575 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 1.5 p -88.96 -37.3 15.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.971 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.575 ' CB ' ' O ' ' A' ' 57' ' ' SER . . . 89.14 15.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.457 ' HE2' ' CD2' ' A' ' 54' ' ' LEU . 0.9 OUTLIER -62.79 -24.29 67.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.7 m -137.34 167.79 22.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.541 ' CD2' ' HA ' ' A' ' 73' ' ' THR . 1.9 m-85 -125.26 -167.46 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.2 t -133.78 148.58 51.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.426 ' C ' ' N ' ' A' ' 65' ' ' ASP . 22.6 t -83.2 -11.14 58.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 t0 45.63 26.29 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.426 ' N ' ' C ' ' A' ' 63' ' ' SER . 0.8 OUTLIER -151.25 170.14 20.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.514 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -89.15 138.03 29.14 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.3 Cg_endo -74.98 149.71 94.29 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.015 -0.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.471 ' HD3' ' CD1' ' A' ' 66' ' ' ILE . 18.4 Cg_endo -75.0 107.98 2.61 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.546 1.814 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.473 ' HB3' ' CB ' ' A' ' 32' ' ' THR . 0.0 OUTLIER -144.67 -176.74 5.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.499 ' CE2' ' HG ' ' A' ' 51' ' ' LEU . 7.7 m95 -109.04 133.7 52.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 108.044 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.562 ' CZ ' ' O ' ' A' ' 28' ' ' ILE . 2.5 m-30 -117.66 -168.76 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.467 ' HB2' ' CD1' ' A' ' 23' ' ' ILE . 36.8 ttp -114.89 98.14 6.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 111.055 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.541 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 0.7 OUTLIER 38.19 85.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.356 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.5 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 110.406 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 18' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.43 -35.24 0.98 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 18' ' ' ILE . 23.9 pt-20 -63.85 -46.72 83.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 15' ' ' ASN . 24.9 mt -73.97 -29.91 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.461 HG11 ' CD1' ' A' ' 54' ' ' LEU . 17.3 t -68.33 -38.98 80.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.419 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 5.3 t -75.63 -34.56 60.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 108.289 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -68.17 -32.97 73.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.04 -61.01 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.458 HD13 ' CA ' ' A' ' 71' ' ' PHE . 12.2 tt -46.15 -43.2 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -66.08 -50.47 64.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -53.51 -25.8 18.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.454 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.473 ' CG2' ' HB3' ' A' ' 29' ' ' GLU . 42.0 mt -73.85 -100.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.28 -72.62 0.4 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.481 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.7 OUTLIER -118.83 -31.11 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.265 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.473 ' HB3' ' CG2' ' A' ' 26' ' ' ILE . 2.5 tp10 -63.56 -9.78 14.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.254 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.443 ' HA3' ' CE1' ' A' ' 71' ' ' PHE . . . 36.28 -154.62 0.01 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -124.72 89.16 3.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.5 t -86.23 160.42 19.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.387 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 36' ' ' LEU . . . -51.7 -63.39 1.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -38.18 -53.78 1.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.493 ' NE2' ' NE2' ' A' ' 39' ' ' GLN . 6.3 tp60 -56.53 -46.89 80.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.509 ' O ' ' CG ' ' A' ' 40' ' ' LEU . 9.7 mp -69.64 -6.59 32.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.48 ' CG2' ' HA ' ' A' ' 42' ' ' MET . 52.1 m -106.66 -15.71 14.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 110.412 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.49 -51.64 4.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.493 ' NE2' ' NE2' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -50.35 -35.52 28.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.313 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.509 ' CG ' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -102.88 -77.5 0.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.447 ' O ' ' HB2' ' A' ' 42' ' ' MET . 0.3 OUTLIER 179.29 -56.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.502 ' O ' ' CG ' ' A' ' 42' ' ' MET . 1.9 ttt 175.96 36.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -85.33 50.94 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.263 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 13.3 ttpt -54.99 -17.29 3.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.1 ttm-85 -68.74 -46.53 68.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -74.34 -39.0 63.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.266 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.47 ' CG2' ' HA ' ' A' ' 44' ' ' LYS . 1.0 OUTLIER -72.29 -25.91 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 7.3 t30 -73.21 -62.94 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.4 tptt -54.33 -37.98 65.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.0 -53.14 42.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.575 ' HB3' ' CZ2' ' A' ' 70' ' ' TRP . 0.5 OUTLIER -54.81 -65.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 109.258 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.407 ' O ' ' N ' ' A' ' 55' ' ' GLN . 0.6 OUTLIER -38.75 -63.07 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -44.13 -53.31 6.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.461 ' CD1' HG11 ' A' ' 19' ' ' VAL . 24.0 mt -55.08 -39.24 69.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 52' ' ' TYR . 29.5 tt0 -59.57 -47.53 85.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.23 -17.96 61.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 19.5 m -86.99 -33.36 19.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 57' ' ' SER . . . 84.34 22.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.411 ' CG ' ' HB3' ' A' ' 57' ' ' SER . 0.7 OUTLIER -85.6 -10.23 56.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.446 ' CG2' ' HB3' ' A' ' 54' ' ' LEU . 21.1 m -144.54 171.07 7.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.577 ' CD1' ' HA ' ' A' ' 73' ' ' THR . 11.1 m-85 -134.13 -174.64 3.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.5 t -120.21 164.17 16.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.989 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.9 m -89.68 -17.49 28.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.022 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 60.21 22.56 11.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.249 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -141.84 168.41 19.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.499 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 3.1 tp -104.57 135.28 19.34 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.3 Cg_endo -75.0 172.85 60.95 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.009 -0.021 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 113.8 3.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.475 1.776 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 63.7 mtm-85 -121.46 126.41 49.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.575 ' CZ2' ' HB3' ' A' ' 51' ' ' LEU . 49.3 m95 -79.5 122.86 26.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 107.995 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.481 ' CZ ' ' O ' ' A' ' 28' ' ' ILE . 5.5 m-30 -112.55 -170.97 1.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.416 ' O ' ' C ' ' A' ' 73' ' ' THR . 0.9 OUTLIER -118.47 106.45 12.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.577 ' HA ' ' CD1' ' A' ' 61' ' ' TYR . 0.7 OUTLIER 37.07 91.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.382 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 42.4 p . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.436 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.47 ' O ' ' N ' ' A' ' 18' ' ' ILE . 13.7 t-20 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.432 ' CB ' HD23 ' A' ' 54' ' ' LEU . . . -41.42 -43.88 2.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.402 ' C ' ' OE1' ' A' ' 17' ' ' GLU . 0.7 OUTLIER -68.86 -39.9 79.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.35 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 15' ' ' ASN . 13.8 mm -68.42 -35.76 72.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.447 ' CG2' ' O ' ' A' ' 15' ' ' ASN . 2.7 t -66.95 -40.89 86.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.404 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 0.9 OUTLIER -66.51 -40.37 89.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 108.291 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.19 -33.19 75.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.03 -62.42 1.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.439 HD11 ' CA ' ' A' ' 71' ' ' PHE . 2.5 tt -44.65 -38.57 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.56 -46.81 68.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.8 m -59.3 -28.3 66.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.421 HG22 ' N ' ' A' ' 27' ' ' GLY . 20.5 mm -60.57 -96.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.491 ' O ' ' CE ' ' A' ' 72' ' ' MET . . . 140.7 -71.15 0.43 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.497 ' CD1' ' N ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -119.68 -31.78 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.497 ' N ' ' CD1' ' A' ' 28' ' ' ILE . 1.2 tp10 -63.99 -11.09 25.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.432 ' HA3' ' CE1' ' A' ' 71' ' ' PHE . . . 35.49 -154.13 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.511 1.132 . . . . 0.0 110.949 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.451 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . . . -129.97 89.83 2.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 0.751 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.2 t -81.33 -159.19 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.42 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . -69.07 -75.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 35' ' ' GLN . . . -36.61 -58.56 0.72 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 34' ' ' ALA . 5.1 mm100 -34.71 -84.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.346 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.555 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 2.9 mp -44.39 -53.34 6.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.456 ' CG2' ' HA ' ' A' ' 42' ' ' MET . 19.4 m -42.83 -25.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.4 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.421 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -91.86 -41.39 10.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 36' ' ' LEU . 2.9 mp0 -51.66 -29.75 19.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.555 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -102.4 -104.67 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.423 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.4 OUTLIER -162.78 25.34 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.456 ' HA ' ' CG2' ' A' ' 37' ' ' THR . 8.6 ttm 76.21 51.87 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER -108.87 68.25 0.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.261 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.475 ' HA ' ' CG1' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -40.5 -29.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.257 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.452 ' N ' ' C ' ' A' ' 43' ' ' GLU . 1.2 mtm-85 -63.41 -49.14 74.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.343 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 43' ' ' GLU . 6.7 pt-20 -80.6 -36.25 33.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.475 ' CG1' ' HA ' ' A' ' 44' ' ' LYS . 0.4 OUTLIER -67.76 -25.35 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 32.7 t-20 -83.99 -47.44 10.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.21 -30.96 71.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.74 -52.08 9.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.556 ' HB3' ' CZ2' ' A' ' 70' ' ' TRP . 13.4 mt -58.63 -33.59 70.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.529 ' CD2' ' N ' ' A' ' 53' ' ' ASP . 3.2 t80 -69.85 -62.37 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.529 ' N ' ' CD2' ' A' ' 52' ' ' TYR . 0.4 OUTLIER -49.55 -42.39 43.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.432 HD23 ' CB ' ' A' ' 16' ' ' ALA . 13.7 mt -65.04 -38.74 91.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -61.16 -42.84 99.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.332 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -80.46 -17.65 51.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 65.1 m -80.42 -31.53 37.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 57' ' ' SER . . . 83.69 16.64 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -20.29 56.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 111.035 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.5 m -140.7 178.24 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.597 ' CD1' ' HA ' ' A' ' 73' ' ' THR . 15.6 m-85 -138.44 -179.61 5.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.66 154.73 33.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.039 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.0 t -81.01 -17.77 49.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 59.64 27.79 17.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -148.27 167.25 25.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.524 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 8.4 tt -102.52 135.95 19.44 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.3 Cg_endo -74.98 169.46 74.5 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.991 -2.504 . . . . 0.0 110.973 -0.043 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 117.11 4.78 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.515 1.797 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.409 ' NH1' ' HD2' ' A' ' 67' ' ' PRO . 8.3 mtm-85 -128.27 129.18 45.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.556 ' CZ2' ' HB3' ' A' ' 51' ' ' LEU . 49.8 m95 -83.19 121.78 27.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 107.979 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.439 ' CA ' HD11 ' A' ' 23' ' ' ILE . 3.7 m-30 -115.73 175.98 5.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.491 ' CE ' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -100.23 109.99 22.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.597 ' HA ' ' CD1' ' A' ' 61' ' ' TYR . 0.8 OUTLIER 37.2 90.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.375 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.3 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.404 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.494 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 17.7 t30 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.54 -45.64 3.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.65 -38.62 80.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.239 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 15' ' ' ASN . 18.1 mt -69.33 -32.3 52.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 15' ' ' ASN . 2.8 t -70.97 -39.77 75.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.461 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 1.7 m -69.71 -34.32 73.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 108.335 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.91 -37.63 76.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.7 -56.35 7.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.461 ' CG2' ' HA ' ' A' ' 20' ' ' CYS . 4.3 tt -51.15 -42.95 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.6 -51.25 70.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 m -60.47 -24.5 65.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.393 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.434 ' CG2' ' HB3' ' A' ' 29' ' ' GLU . 2.1 mm -74.77 -100.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.412 ' N ' HG23 ' A' ' 26' ' ' ILE . . . 136.22 -69.18 0.52 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.543 1.152 . . . . 0.0 111.022 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.52 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -116.39 -31.79 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 0.786 . . . . 0.0 109.343 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.434 ' HB3' ' CG2' ' A' ' 26' ' ' ILE . 1.5 tt0 -64.96 -8.84 17.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.451 ' HA3' ' CE1' ' A' ' 71' ' ' PHE . . . 36.42 -155.69 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.438 1.086 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.506 ' CB ' ' CD1' ' A' ' 36' ' ' LEU . . . -116.44 91.82 3.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.461 ' HB ' ' CZ ' ' A' ' 69' ' ' ARG . 1.6 t -79.42 -175.54 4.78 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 110.395 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.416 ' N ' HG21 ' A' ' 32' ' ' THR . . . -57.14 -73.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -39.5 -51.01 2.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.44 ' O ' ' NE2' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -38.12 -84.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.566 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 6.6 mp -48.08 -52.15 21.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.46 ' CG2' ' HG3' ' A' ' 42' ' ' MET . 13.3 m -42.22 -25.37 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 110.429 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.433 ' N ' ' C ' ' A' ' 36' ' ' LEU . 25.6 mtp85 -93.37 -38.98 11.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.249 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.473 ' NE2' ' N ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -53.12 -31.63 43.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.566 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -97.48 -103.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.447 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.3 OUTLIER -160.52 24.57 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.46 ' HG3' ' CG2' ' A' ' 37' ' ' THR . 0.0 OUTLIER 77.92 39.52 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 110.933 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 46' ' ' GLU . 9.0 mm-40 -98.65 64.34 1.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.341 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.475 ' HA ' ' CG1' ' A' ' 47' ' ' VAL . 27.1 tttt -39.53 -29.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.458 ' N ' ' C ' ' A' ' 43' ' ' GLU . 8.8 mtt-85 -60.77 -51.37 69.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.36 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 43' ' ' GLU . 7.0 pt-20 -75.67 -37.31 59.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.475 ' CG1' ' HA ' ' A' ' 44' ' ' LYS . 0.4 OUTLIER -66.58 -27.8 41.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 4.0 m-20 -75.97 -63.16 1.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.96 -27.82 46.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.437 ' CB ' ' O ' ' A' ' 46' ' ' GLU . . . -77.71 -45.4 24.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.522 ' HG ' ' CE2' ' A' ' 70' ' ' TRP . 4.6 mp -60.62 -39.97 90.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -67.16 -59.06 3.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.38 -45.63 35.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.5 mt -66.6 -35.46 80.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -61.44 -43.76 98.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.449 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 0.5 OUTLIER -82.26 -17.27 46.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.32 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 21.6 t -77.9 -30.88 50.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 57' ' ' SER . . . 82.11 18.32 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -79.87 -20.6 45.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.8 m -143.03 164.07 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.531 ' CG ' ' HA ' ' A' ' 73' ' ' THR . 1.9 m-85 -126.05 -169.01 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.67 164.05 21.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.953 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.2 t -89.45 -14.78 34.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.007 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.8 t70 54.43 42.03 31.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -169.8 157.69 7.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.519 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 4.7 mp -91.9 140.54 24.86 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.3 Cg_endo -75.04 170.2 72.5 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.047 -2.48 . . . . 0.0 110.983 0.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 135.84 19.52 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 0.0 110.989 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.461 ' CZ ' ' HB ' ' A' ' 32' ' ' THR . 1.6 mtp85 -154.46 135.28 13.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.522 ' CE2' ' HG ' ' A' ' 51' ' ' LEU . 28.7 m95 -87.52 123.07 32.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 108.016 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.52 ' CZ ' ' O ' ' A' ' 28' ' ' ILE . 8.3 m-30 -112.74 -169.25 1.44 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.418 ' N ' HD13 ' A' ' 23' ' ' ILE . 7.8 ttp -111.71 99.54 8.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.531 ' HA ' ' CG ' ' A' ' 61' ' ' TYR . 0.6 OUTLIER 57.87 156.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.411 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.526 ' N ' ' CD2' ' A' ' 61' ' ' TYR . 15.1 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.403 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.5 -38.21 63.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.245 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 18' ' ' ILE . 26.7 pt-20 -62.33 -45.92 91.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.436 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 5.3 mt -74.64 -38.93 46.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.7 t -63.52 -29.67 47.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.468 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 1.7 m -80.51 -39.09 28.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 108.31 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.06 -35.33 80.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.41 -61.58 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.468 ' CG2' ' HA ' ' A' ' 20' ' ' CYS . 15.2 tt -46.3 -37.72 3.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.359 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -67.74 -50.82 55.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.4 m -55.16 -25.46 32.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.447 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.422 HG21 ' N ' ' A' ' 30' ' ' GLY . 4.2 mm -68.43 -100.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.412 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 136.36 -68.9 0.52 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.541 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -116.58 -31.7 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.775 . . . . 0.0 109.348 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 30' ' ' GLY . 0.7 OUTLIER -64.02 -10.54 22.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.562 ' HA3' ' CD1' ' A' ' 71' ' ' PHE . . . 36.84 -156.12 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.84 95.66 3.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 0.719 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 t -79.83 160.25 26.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.422 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' LEU . . . -41.5 -67.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -37.78 -61.23 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -54.97 -40.69 70.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.527 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -74.17 -3.64 30.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.469 ' CG2' ' HA ' ' A' ' 42' ' ' MET . 54.1 m -112.68 -12.97 13.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.347 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.56 -34.96 8.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -29.47 66.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.527 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -100.6 -103.16 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.4 ' O ' ' HB2' ' A' ' 42' ' ' MET . 0.4 OUTLIER -161.85 25.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.469 ' HA ' ' CG2' ' A' ' 37' ' ' THR . 30.0 mtp 73.2 46.89 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.052 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 46' ' ' GLU . 1.0 OUTLIER -98.19 61.0 1.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.15 . . . . 0.0 110.336 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 3.2 ttmm -41.78 -28.34 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.249 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.433 ' N ' ' C ' ' A' ' 43' ' ' GLU . 72.5 mtm-85 -65.01 -48.96 72.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 43' ' ' GLU . 10.9 pt-20 -79.83 -36.48 36.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.484 ' CG1' ' HA ' ' A' ' 44' ' ' LYS . 0.4 OUTLIER -69.35 -24.3 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 14.2 t-20 -81.68 -55.54 4.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.85 -31.91 65.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.94 -61.59 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.454 ' HG ' ' CE2' ' A' ' 70' ' ' TRP . 6.4 mp -43.06 -37.27 1.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.53 ' CD2' ' N ' ' A' ' 53' ' ' ASP . 3.1 t80 -69.36 -62.88 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.53 ' N ' ' CD2' ' A' ' 52' ' ' TYR . 3.8 t0 -45.68 -48.39 15.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 58' ' ' ALA . 48.8 mt -59.38 -48.33 82.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -55.09 25.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.454 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 9.4 mpt_? -67.2 -18.29 65.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 34.0 m -85.41 -33.23 22.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.02 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 57' ' ' SER . . . 82.03 5.84 1.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.338 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.4 tpt -61.93 -29.01 69.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.9 m -125.73 164.19 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.54 ' CD2' ' HA ' ' A' ' 73' ' ' THR . 1.5 m-85 -124.9 -166.54 1.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 t -130.69 173.41 10.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.986 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 7.7 t -89.62 -38.58 13.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 63' ' ' SER . 6.1 t0 81.99 25.64 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -153.13 170.19 21.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.274 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.519 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 8.8 tt -106.85 134.87 19.66 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.3 Cg_endo -74.96 159.62 97.74 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.008 -0.012 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 147.69 34.43 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.539 1.81 . . . . 0.0 111.037 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 48.0 mtt85 -151.61 141.86 22.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.454 ' CE2' ' HG ' ' A' ' 51' ' ' LEU . 37.9 m95 -86.5 119.29 26.6 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.562 ' CD1' ' HA3' ' A' ' 30' ' ' GLY . 5.5 m-30 -109.93 -170.13 1.59 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' THR . 9.9 tmm? -118.77 92.42 3.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.54 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 0.5 OUTLIER 37.45 90.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 110.396 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.4 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.424 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.482 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.465 ' CB ' HD12 ' A' ' 54' ' ' LEU . . . -48.74 -43.91 38.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.107 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -39.04 88.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.3 mt -74.46 -39.17 47.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.423 1.077 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.482 ' CG2' ' O ' ' A' ' 15' ' ' ASN . 3.9 t -64.6 -34.53 70.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 24' ' ' LYS . 46.8 t -72.17 -42.95 65.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 108.297 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -59.79 -36.12 76.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.98 -65.45 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.444 ' CG2' ' HA ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -47.49 -31.9 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 20' ' ' CYS . 9.0 tttp -70.28 -52.33 23.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.1 m -54.35 -28.56 43.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 110.368 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 21.1 mm -61.24 -98.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 148.64 -75.99 0.26 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.57 1.169 . . . . 0.0 111.039 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.495 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -116.89 -26.24 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 109.343 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -66.55 -8.49 27.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.498 ' HA3' ' CE1' ' A' ' 71' ' ' PHE . . . 36.42 -155.25 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.449 1.093 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.17 94.83 4.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 0.752 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.496 ' CG2' ' N ' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -80.79 174.55 11.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 110.408 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.496 ' N ' ' CG2' ' A' ' 32' ' ' THR . . . -55.2 -67.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 35' ' ' GLN . . . -37.93 -56.16 1.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 34' ' ' ALA . 2.6 mt-30 -35.7 -75.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.516 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 9.5 mp -47.61 -48.59 28.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.414 1.071 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.462 ' CG2' ' HA ' ' A' ' 42' ' ' MET . 37.4 m -51.82 -20.59 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.397 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 35' ' ' GLN . 1.3 ttp-105 -94.79 -33.51 12.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.1 -30.09 70.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.516 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -110.36 -64.63 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 42' ' ' MET . 0.3 OUTLIER 164.97 -56.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.462 ' HA ' ' CG2' ' A' ' 37' ' ' THR . 0.0 OUTLIER 173.04 37.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 111.013 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -79.88 52.36 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.47 ' HA ' ' CG1' ' A' ' 47' ' ' VAL . 39.3 ttmt -49.21 -24.6 1.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -52.5 57.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -77.48 -33.79 54.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.515 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -69.93 -26.65 30.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.559 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 34.8 m-20 -77.75 -57.67 3.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -30.62 63.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.47 -58.55 3.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.571 ' CD1' ' CE2' ' A' ' 70' ' ' TRP . 0.8 OUTLIER -48.96 -43.94 40.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.559 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 16.0 m-85 -60.89 -67.45 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.957 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -42.02 -52.61 4.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.465 HD12 ' CB ' ' A' ' 16' ' ' ALA . 13.5 mt -58.96 -39.61 82.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' TYR . 41.5 tt0 -54.6 -49.59 70.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.288 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -73.68 -19.68 60.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.405 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 68.1 m -79.48 -28.63 41.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.074 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 57' ' ' SER . . . 77.19 12.92 2.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.419 ' CE ' ' O ' ' A' ' 59' ' ' MET . 5.6 tpt -70.6 -18.86 62.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 110.998 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 28.2 m -132.11 169.29 22.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.234 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.524 ' CG ' ' HA ' ' A' ' 73' ' ' THR . 0.7 OUTLIER -127.65 -169.36 2.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.67 156.01 45.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.984 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.7 t -88.65 -11.11 46.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.976 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 51.03 43.31 29.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -164.1 152.25 12.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.497 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 3.5 mt -84.34 136.4 40.36 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.3 Cg_endo -74.96 155.28 99.98 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.031 -2.487 . . . . 0.0 111.005 -0.002 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 114.42 4.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.537 ' HD2' ' CZ ' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -128.22 154.11 46.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.571 ' CE2' ' CD1' ' A' ' 51' ' ' LEU . 42.5 m95 -97.3 129.29 44.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.019 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.537 ' CZ ' ' HD2' ' A' ' 69' ' ' ARG . 7.9 m-30 -112.88 -170.98 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 111.068 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.444 ' O ' ' C ' ' A' ' 73' ' ' THR . 3.5 ttp -116.96 95.85 5.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.524 ' HA ' ' CG ' ' A' ' 61' ' ' TYR . 8.4 t 35.23 55.89 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 110.388 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.1 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.449 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.97 -38.6 23.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -39.86 92.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.252 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.8 mt -73.96 -37.32 47.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.449 ' CG2' ' O ' ' A' ' 15' ' ' ASN . 7.1 t -62.46 -41.4 91.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.456 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 3.2 t -70.12 -39.85 75.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 108.328 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -30.02 70.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.34 -61.45 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.468 ' HA ' ' CD1' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -52.82 -26.98 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 20' ' ' CYS . 0.1 OUTLIER -78.75 -48.65 14.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.5 m -58.63 -35.29 72.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.378 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.468 ' CD1' ' HA ' ' A' ' 23' ' ' ILE . 23.4 mt -58.78 -99.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.407 ' N ' HG21 ' A' ' 26' ' ' ILE . . . 136.27 -68.42 0.53 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.101 . . . . 0.0 111.014 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.576 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -115.18 -33.25 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 0.784 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 30' ' ' GLY . 0.8 OUTLIER -65.14 -9.3 21.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.34 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.502 ' HA3' ' CE1' ' A' ' 71' ' ' PHE . . . 36.75 -156.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.415 ' CB ' HD12 ' A' ' 36' ' ' LEU . . . -137.4 95.59 3.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.406 HG23 ' N ' ' A' ' 33' ' ' ALA . 1.3 t -80.06 179.36 7.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.349 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . -58.02 -74.16 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -38.98 -49.25 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -37.5 -78.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.52 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 9.4 mp -46.91 -49.47 20.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.469 ' CG2' ' HA ' ' A' ' 42' ' ' MET . 82.0 m -48.88 -22.42 0.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.4 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.26 -38.97 11.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -60.36 -29.45 68.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.52 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -110.65 -70.82 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 172.85 -54.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.469 ' HA ' ' CG2' ' A' ' 37' ' ' THR . 0.0 OUTLIER 173.46 37.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.432 ' C ' ' N ' ' A' ' 45' ' ' ARG . 7.4 mt-10 -93.05 55.37 2.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.32 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.496 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 0.5 OUTLIER -52.93 -16.02 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.432 ' N ' ' C ' ' A' ' 43' ' ' GLU . 1.3 mpt_? -66.56 -45.41 79.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -76.23 -32.63 59.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.097 . . . . 0.0 110.339 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.496 ' CG2' ' HA ' ' A' ' 44' ' ' LYS . 0.9 OUTLIER -77.94 -26.32 14.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 44' ' ' LYS . 12.7 t30 -74.71 -49.73 20.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.42 -33.36 74.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.86 -37.83 64.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.55 HD22 ' CE3' ' A' ' 70' ' ' TRP . 41.7 mt -73.74 -33.95 64.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.083 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -66.85 -44.53 80.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.64 -39.51 77.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.0 mt -69.59 -27.48 65.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.362 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -81.71 -30.26 32.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.428 ' N ' ' HD2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -81.67 -24.52 36.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.584 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 2.0 p -84.69 -34.23 23.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.584 ' CB ' ' O ' ' A' ' 57' ' ' SER . . . 89.82 20.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -74.63 -29.87 61.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.6 m -121.58 -156.82 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -174.1 -173.86 0.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 111.046 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.6 t -117.69 168.22 10.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 109.998 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 10.7 t -85.7 -30.67 22.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.962 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 63' ' ' SER . 3.6 t0 81.6 28.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -155.12 171.55 19.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.497 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -105.33 136.2 19.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.4 Cg_endo -74.97 166.54 82.96 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 121.008 -2.497 . . . . 0.0 111.026 -0.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.403 ' O ' ' OG1' ' A' ' 32' ' ' THR . 18.3 Cg_endo -75.02 115.0 4.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 111.045 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.4 128.6 54.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.282 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.55 ' CE3' HD22 ' A' ' 51' ' ' LEU . 74.0 m95 -75.85 119.75 20.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 107.984 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.576 ' CZ ' ' O ' ' A' ' 28' ' ' ILE . 4.4 m-30 -114.06 -173.62 2.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.15 . . . . 0.0 111.038 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 39.3 ttp -110.82 72.83 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.3 t 38.91 73.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.5 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.356 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 18' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.58 -32.45 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 18' ' ' ILE . 13.1 pt-20 -70.27 -46.57 64.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.352 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 15' ' ' ASN . 30.4 mt -73.36 -32.54 37.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.6 t -65.78 -41.23 89.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.2 m -69.39 -43.72 72.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 108.276 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -64.67 -27.17 68.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.16 -61.14 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.412 HG22 ' N ' ' A' ' 24' ' ' LYS . 10.9 tt -51.25 -30.66 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.412 ' N ' HG22 ' A' ' 23' ' ' ILE . 6.3 mttt -73.41 -53.3 11.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 m -51.27 -30.32 17.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 110.387 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.46 HG22 ' CB ' ' A' ' 29' ' ' GLU . 23.8 mt -71.65 -100.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.415 ' N ' HG21 ' A' ' 26' ' ' ILE . . . 131.91 -67.04 0.57 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.533 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -115.9 -29.59 2.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 0.786 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.46 ' CB ' HG22 ' A' ' 26' ' ' ILE . 1.2 tp10 -65.4 -9.09 22.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.491 ' HA3' ' CE1' ' A' ' 71' ' ' PHE . . . 36.8 -155.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.65 95.18 3.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.788 . . . . 0.0 109.328 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.467 ' CB ' ' HB3' ' A' ' 69' ' ' ARG . 1.2 t -78.84 178.91 7.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.412 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . -67.3 -68.53 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -37.82 -58.48 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' ALA . 1.6 mt-30 -36.54 -71.56 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.534 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 8.5 mp -49.34 -45.55 45.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.444 ' CG2' ' HA ' ' A' ' 42' ' ' MET . 82.7 m -57.12 -17.75 12.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.369 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -95.97 -31.76 12.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 110.283 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -66.57 -28.89 68.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 110.286 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.534 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -110.65 -73.93 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.447 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.2 OUTLIER 173.41 -43.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.447 ' CB ' ' O ' ' A' ' 41' ' ' ASN . 2.4 mtm 164.33 41.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.475 ' CB ' HD11 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -98.26 59.38 1.35 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.352 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.4 OUTLIER -65.96 -16.3 63.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.09 . . . . 0.0 109.27 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -56.2 19.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.401 ' CD ' ' C ' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -72.37 -38.04 68.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.467 HG23 ' CD2' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -68.05 -24.82 30.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.532 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 9.2 m-20 -74.47 -58.1 3.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -57.14 -30.87 64.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.347 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.95 -53.41 10.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.577 ' HB3' ' CH2' ' A' ' 70' ' ' TRP . 3.0 mp -53.45 -47.05 70.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.532 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 23.3 m-85 -58.46 -64.93 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.35 -46.42 9.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.0 mt -61.78 -38.93 89.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' TYR . 1.3 tm0? -58.31 -44.54 88.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.319 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.01 -18.94 55.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.533 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 29.9 t -79.44 -28.53 41.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 57' ' ' SER . . . 86.14 28.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.65 -18.66 21.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 111.009 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 61' ' ' TYR . 2.8 m -141.96 -165.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.423 ' N ' HG23 ' A' ' 60' ' ' VAL . 8.4 t80 -168.53 -177.57 3.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.8 t -121.41 146.9 46.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.01 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.84 -34.28 22.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.998 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 61.92 18.33 9.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -138.38 149.94 46.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.511 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 2.3 tt -81.4 134.2 51.98 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.3 Cg_endo -74.97 143.68 78.58 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 120.977 -2.51 . . . . 0.0 111.049 -0.033 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 147.51 33.95 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.566 ' HG3' ' CE1' ' A' ' 71' ' ' PHE . 8.7 ptp180 176.72 173.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.577 ' CH2' ' HB3' ' A' ' 51' ' ' LEU . 22.4 m95 -94.88 127.43 40.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 108.023 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.566 ' CE1' ' HG3' ' A' ' 69' ' ' ARG . 4.4 m-30 -115.17 -176.11 2.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.501 ' CG ' ' O ' ' A' ' 72' ' ' MET . 3.3 ptp -101.63 71.19 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 72' ' ' MET . 1.0 OUTLIER 36.29 88.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.392 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.5 p . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.417 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.63 -40.25 12.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.73 -44.12 97.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.4 mm -73.85 -41.42 53.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 39.4 t -59.49 -36.65 65.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.75 -63.21 1.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 108.302 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -45.59 -29.31 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.07 -54.56 9.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.466 HD13 ' CA ' ' A' ' 71' ' ' PHE . 6.0 tt -53.87 -26.69 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.438 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.6 OUTLIER -75.81 -49.57 17.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.24 -31.17 63.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.368 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.5 mt -65.31 -100.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.82 -72.08 0.42 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 110.959 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.524 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -117.08 -29.56 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.771 . . . . 0.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 30' ' ' GLY . 0.4 OUTLIER -64.7 -9.77 22.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.233 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.535 ' HA3' ' CD1' ' A' ' 71' ' ' PHE . . . 36.16 -154.69 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -139.49 97.71 3.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 0.771 . . . . 0.0 109.293 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.416 HG23 ' N ' ' A' ' 33' ' ' ALA . 15.2 t -82.88 -152.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.431 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.416 ' N ' HG23 ' A' ' 32' ' ' THR . . . -72.39 -73.48 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 35' ' ' GLN . . . -39.78 -48.88 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 34' ' ' ALA . 3.6 mm100 -38.39 -81.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.516 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 9.4 mp -46.03 -50.48 15.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.445 ' CG2' ' HA ' ' A' ' 42' ' ' MET . 25.9 m -47.86 -22.91 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.409 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.87 -45.88 8.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -52.38 -29.34 23.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 110.267 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.516 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -110.18 -73.88 0.67 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.422 ' O ' ' HB3' ' A' ' 42' ' ' MET . 0.3 OUTLIER 176.18 -50.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.445 ' HA ' ' CG2' ' A' ' 37' ' ' THR . 0.0 OUTLIER 167.28 39.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.472 ' HB3' ' CG ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER -91.68 55.4 2.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 19.2 tttt -45.95 -23.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.408 ' N ' ' C ' ' A' ' 43' ' ' GLU . 0.4 OUTLIER -68.5 -42.55 78.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.269 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.472 ' CG ' ' HB3' ' A' ' 43' ' ' GLU . 0.6 OUTLIER -77.42 -37.62 51.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.476 ' CG2' ' HA ' ' A' ' 44' ' ' LYS . 1.0 OUTLIER -73.95 -26.59 21.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 9.0 t30 -75.18 -51.77 12.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.66 -32.11 73.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.63 -43.08 49.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.529 ' HB3' ' CZ2' ' A' ' 70' ' ' TRP . 29.9 mt -66.93 -34.9 78.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.508 ' CD2' ' N ' ' A' ' 53' ' ' ASP . 1.7 t80 -66.68 -58.39 5.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.508 ' N ' ' CD2' ' A' ' 52' ' ' TYR . 2.7 t0 -51.11 -51.56 52.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.4 mt -55.35 -40.94 71.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.57 -49.74 76.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -70.44 -17.74 63.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 25.1 t -86.33 -34.26 20.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 57' ' ' SER . . . 84.08 18.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.402 ' CG ' ' OG ' ' A' ' 57' ' ' SER . 0.0 OUTLIER -78.97 -24.86 43.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.989 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 33.2 m -120.08 -171.84 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.561 ' CZ ' ' C ' ' A' ' 74' ' ' THR . 15.9 t80 -135.14 168.87 18.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.37 138.68 47.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.17 -24.47 54.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.02 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 64.19 41.19 6.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -158.46 169.62 24.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.341 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.493 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 4.6 tp -103.36 132.64 20.9 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.2 Cg_endo -75.03 172.8 61.22 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.961 -2.516 . . . . 0.0 110.989 0.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 107.54 2.51 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.775 . . . . 0.0 110.979 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 -108.18 120.11 41.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.529 ' CZ2' ' HB3' ' A' ' 51' ' ' LEU . 61.3 m95 -92.61 124.96 37.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 107.969 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.535 ' CD1' ' HA3' ' A' ' 30' ' ' GLY . 4.0 m-30 -115.58 -167.77 1.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.499 ' O ' ' C ' ' A' ' 73' ' ' THR . 0.0 OUTLIER -117.23 101.59 8.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.499 ' C ' ' O ' ' A' ' 72' ' ' MET . 13.1 t 30.09 90.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.561 ' C ' ' CZ ' ' A' ' 61' ' ' TYR . 2.7 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.381 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.468 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.72 -40.23 9.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 18' ' ' ILE . 14.9 pt-20 -61.69 -44.06 97.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.346 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.422 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 19.8 mm -74.77 -31.78 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.461 ' O ' ' CG2' ' A' ' 23' ' ' ILE . 14.9 t -69.3 -31.91 51.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.469 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 0.1 OUTLIER -82.14 -39.57 23.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 108.287 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -66.22 -34.68 78.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.45 -60.56 2.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.469 ' CG2' ' HA ' ' A' ' 20' ' ' CYS . 11.5 tt -48.59 -38.62 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -66.07 -60.19 3.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -46.93 -28.98 1.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 110.419 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.419 HG21 ' N ' ' A' ' 30' ' ' GLY . 1.8 mm -67.31 -100.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.01 -66.96 0.56 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.115 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.409 HG13 ' N ' ' A' ' 29' ' ' GLU . 0.6 OUTLIER -116.77 -32.8 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.505 0.768 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 30' ' ' GLY . 0.2 OUTLIER -62.16 -12.19 18.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.347 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.419 ' N ' HG21 ' A' ' 26' ' ' ILE . . . 35.46 -153.17 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.474 ' CB ' HD12 ' A' ' 36' ' ' LEU . . . -118.75 82.52 1.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 0.738 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.34 149.79 25.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 110.394 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 36' ' ' LEU . . . -40.8 -63.84 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -38.68 -52.56 1.67 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.127 . . . . 0.0 109.352 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -43.0 99.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.515 ' O ' ' CG ' ' A' ' 40' ' ' LEU . 2.2 mp -66.75 -10.68 49.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.0 m -104.4 -21.59 13.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.396 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.41 -53.21 4.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.284 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.04 -28.08 3.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.515 ' CG ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -114.87 -95.68 0.46 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.496 ' O ' ' HB2' ' A' ' 42' ' ' MET . 0.3 OUTLIER -157.86 -56.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.553 ' O ' ' CG ' ' A' ' 42' ' ' MET . 0.0 OUTLIER 172.35 40.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.484 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -79.47 48.6 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.544 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 17.4 tttt -51.08 -29.04 11.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -70.91 -44.44 66.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.402 ' HG3' ' HB3' ' A' ' 43' ' ' GLU . 0.9 OUTLIER -76.47 -40.93 48.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.502 ' CG2' ' HA ' ' A' ' 44' ' ' LYS . 1.2 m -70.27 -26.34 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.544 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 4.3 t-20 -73.55 -59.55 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.242 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.51 -32.98 65.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.07 -49.61 35.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.585 ' HB3' ' CZ2' ' A' ' 70' ' ' TRP . 6.2 mp -59.93 -31.34 69.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.541 ' CD2' ' N ' ' A' ' 53' ' ' ASP . 2.9 t80 -67.6 -64.99 0.75 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.035 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.541 ' N ' ' CD2' ' A' ' 52' ' ' TYR . 2.6 t0 -46.24 -45.31 17.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 54.4 mt -64.28 -37.61 88.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.571 1.169 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -59.23 -38.91 81.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -86.4 -16.9 35.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.487 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 49.2 m -83.57 -31.22 26.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.024 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 57' ' ' SER . . . 84.38 24.41 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.2 mmt -86.22 -17.69 34.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.3 m -141.04 158.33 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.54 ' CG ' ' HA ' ' A' ' 73' ' ' THR . 1.8 m-85 -125.37 -167.28 1.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.71 151.8 47.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.056 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.506 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -71.32 -34.39 70.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.039 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.506 ' CB ' ' O ' ' A' ' 63' ' ' SER . 6.3 t0 82.3 21.85 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.16 166.77 27.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.512 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 1.1 mp -96.08 139.53 21.83 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.4 Cg_endo -75.0 173.44 57.9 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.038 -0.024 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 116.99 4.76 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.513 1.796 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.8 mtp85 -128.85 142.3 51.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.585 ' CZ2' ' HB3' ' A' ' 51' ' ' LEU . 25.1 m95 -91.9 120.79 32.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 108.035 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.415 ' CE1' ' HA3' ' A' ' 30' ' ' GLY . 4.3 m-30 -109.3 -169.11 1.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.58 ' O ' ' CG2' ' A' ' 73' ' ' THR . 0.0 OUTLIER -113.2 97.84 6.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.58 ' CG2' ' O ' ' A' ' 72' ' ' MET . 9.2 t 56.11 156.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.352 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.496 ' N ' ' CD2' ' A' ' 61' ' ' TYR . 15.0 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.383 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.5 t -175.22 -78.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.977 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.519 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 0.2 OUTLIER -113.83 -31.99 6.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.49 -42.42 98.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.55 -40.0 92.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.0 mt -75.95 -32.76 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.241 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.519 ' CG2' ' O ' ' A' ' 15' ' ' ASN . 42.7 t -68.45 -36.54 75.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.42 -38.63 59.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 108.271 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.98 -29.65 68.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.45 -58.35 3.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.431 ' CD1' ' HG2' ' A' ' 72' ' ' MET . 0.0 OUTLIER -48.06 -46.63 12.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.35 -53.63 49.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -50.85 -25.25 4.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.554 ' CG2' ' CB ' ' A' ' 29' ' ' GLU . 85.6 mt -87.21 -100.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.408 ' N ' HG21 ' A' ' 26' ' ' ILE . . . 155.57 -78.95 0.19 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.443 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.7 OUTLIER -113.09 -19.68 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.554 ' CB ' ' CG2' ' A' ' 26' ' ' ILE . 0.1 OUTLIER -65.85 -9.26 27.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 29' ' ' GLU . . . 35.94 -155.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.501 1.126 . . . . 0.0 111.046 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -120.04 90.01 3.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.4 t -79.77 -172.48 3.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . -64.57 -73.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -38.66 -46.82 1.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -39.94 -81.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.523 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 9.8 mp -46.36 -51.15 15.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.458 ' CG2' ' HA ' ' A' ' 42' ' ' MET . 24.7 m -46.57 -23.55 0.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.147 . . . . 0.0 110.396 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.66 -40.34 10.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.35 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -58.04 -29.25 65.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.278 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.523 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -108.47 -75.29 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.466 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.3 OUTLIER 176.23 -47.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.466 ' CB ' ' O ' ' A' ' 41' ' ' ASN . 2.8 mtt 163.11 41.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -90.01 55.52 3.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.339 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.439 ' HA ' ' CG1' ' A' ' 47' ' ' VAL . 23.7 mttt -54.17 -21.48 8.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -55.13 37.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.61 -36.31 44.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.439 ' CG1' ' HA ' ' A' ' 44' ' ' LYS . 0.5 OUTLIER -64.45 -25.65 38.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.423 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 47.4 m-20 -82.05 -54.32 5.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -58.23 -32.98 68.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.12 -50.8 17.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.564 ' HB3' ' CZ2' ' A' ' 70' ' ' TRP . 5.8 mp -56.34 -35.22 67.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.262 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.42 ' CD2' ' N ' ' A' ' 53' ' ' ASP . 1.8 t80 -67.43 -54.43 20.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.42 ' N ' ' CD2' ' A' ' 52' ' ' TYR . 0.6 OUTLIER -55.94 -47.27 77.88 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.127 . . . . 0.0 109.256 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.7 mt -64.71 -30.81 71.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -68.03 -34.87 77.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 110.255 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -87.32 -17.86 31.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.158 . . . . 0.0 110.345 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.527 ' OG ' ' CG ' ' A' ' 59' ' ' MET . 20.0 p -79.07 -33.54 44.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.023 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 57' ' ' SER . . . 86.1 16.54 0.12 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.527 ' CG ' ' OG ' ' A' ' 57' ' ' SER . 4.9 mmt -78.4 -31.52 48.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.0 m -126.38 158.98 36.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.102 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.538 ' CG ' ' HA ' ' A' ' 73' ' ' THR . 1.6 m-85 -124.75 -166.36 1.51 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.07 165.33 20.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.99 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.563 ' OG ' ' CZ ' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -79.16 -30.54 43.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.008 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 63' ' ' SER . 3.4 t0 80.36 29.71 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -166.22 162.39 17.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.525 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 12.4 mt -91.12 140.34 25.86 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.7 Cg_endo -74.96 170.4 71.91 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 121.018 -2.492 . . . . 0.0 111.006 -0.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 118.84 5.42 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.456 1.767 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.3 mtm-85 -127.05 131.14 51.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.284 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.564 ' CZ2' ' HB3' ' A' ' 51' ' ' LEU . 76.5 m95 -82.63 120.78 25.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 107.981 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.563 ' CZ ' ' OG ' ' A' ' 63' ' ' SER . 7.2 m-30 -113.54 -169.68 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.569 ' O ' ' CG2' ' A' ' 73' ' ' THR . 0.3 OUTLIER -114.44 97.8 6.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.569 ' CG2' ' O ' ' A' ' 72' ' ' MET . 9.2 t 55.89 157.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.393 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.511 ' N ' ' CD2' ' A' ' 61' ' ' TYR . 14.9 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.397 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 tpt85 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.445 ' N ' ' OE1' ' A' ' 17' ' ' GLU . 0.5 OUTLIER -176.61 -68.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.959 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -113.63 -53.8 2.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.65 -40.71 2.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.445 ' OE1' ' N ' ' A' ' 14' ' ' SER . 12.9 pt-20 -63.06 -45.97 89.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 15' ' ' ASN . 23.5 mt -72.41 -54.85 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.8 t -44.62 -40.79 2.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.444 ' HA ' HG21 ' A' ' 23' ' ' ILE . 2.6 m -67.45 -65.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 108.3 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' CYS . 4.3 tt0 -39.05 -29.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 110.299 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 20' ' ' CYS . . . -75.31 -67.29 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.444 HG21 ' HA ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -51.31 -21.8 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -75.93 -51.18 13.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.332 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 m -56.58 -33.23 65.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.409 ' CG2' ' HB3' ' A' ' 29' ' ' GLU . 42.6 mm -55.76 -100.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 137.25 -69.34 0.51 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.517 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -117.24 -31.82 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.76 . . . . 0.0 109.329 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.409 ' HB3' ' CG2' ' A' ' 26' ' ' ILE . 0.9 OUTLIER -65.61 -8.72 21.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.488 ' HA3' ' CD1' ' A' ' 71' ' ' PHE . . . 36.56 -155.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.43 94.89 3.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 0.735 . . . . 0.0 109.261 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.7 t -80.08 -157.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.358 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . -79.18 -71.18 0.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -38.89 -50.05 1.7 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 38' ' ' ARG . 1.2 mt-30 -38.44 -78.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.52 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 9.6 mp -47.0 -49.2 21.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 41' ' ' ASN . 22.3 m -51.4 -20.05 1.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 110.405 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 35' ' ' GLN . 1.0 OUTLIER -94.1 -36.52 12.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -29.62 70.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.52 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -110.36 -66.12 1.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.431 ' O ' ' HB2' ' A' ' 42' ' ' MET . 0.3 OUTLIER 167.39 -57.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.431 ' HB2' ' O ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER 175.94 36.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 111.016 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.479 ' CB ' HD12 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -82.07 51.52 1.78 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.8 OUTLIER -51.79 -22.98 4.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.77 -50.82 65.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.436 ' CG ' ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -78.79 -35.18 44.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.519 ' CG2' ' CD2' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -69.79 -24.88 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 14.1 t30 -81.11 -54.44 5.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.2 tttm -59.06 -33.25 70.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.73 -50.56 23.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.574 ' HB3' ' CZ2' ' A' ' 70' ' ' TRP . 5.0 mp -57.22 -34.19 68.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.41 ' CD2' ' N ' ' A' ' 53' ' ' ASP . 1.8 t80 -67.49 -53.74 26.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.41 ' N ' ' CD2' ' A' ' 52' ' ' TYR . 1.3 t0 -56.97 -50.78 71.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 31.4 mt -56.66 -38.88 72.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -60.32 -46.31 90.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -74.78 -16.54 60.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 110.303 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.495 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 19.2 m -85.46 -34.16 21.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.025 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 57' ' ' SER . . . 84.54 21.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.436 ' HG3' ' CB ' ' A' ' 57' ' ' SER . 1.0 OUTLIER -80.02 -14.64 58.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 110.947 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.4 m -145.51 164.59 11.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.533 ' CG ' ' HA ' ' A' ' 73' ' ' THR . 1.9 m-85 -125.7 -167.12 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.964 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.0 t -127.03 158.62 36.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.148 . . . . 0.0 109.946 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.465 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 5.2 t -73.55 -33.64 64.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 63' ' ' SER . 1.1 t70 79.52 38.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -169.21 167.67 10.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.513 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 1.3 mp -99.48 137.21 20.26 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.1 Cg_endo -75.01 171.0 70.32 Favored 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.99 -2.504 . . . . 0.0 110.991 -0.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 131.92 14.88 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.793 . . . . 0.0 111.048 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.426 ' NH1' ' HG2' ' A' ' 67' ' ' PRO . 8.8 mtm-85 -138.53 138.87 38.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.574 ' CZ2' ' HB3' ' A' ' 51' ' ' LEU . 61.9 m95 -89.63 120.68 31.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 108.0 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.517 ' CZ ' ' O ' ' A' ' 28' ' ' ILE . 4.3 m-30 -114.05 -169.44 1.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.1 ttp -115.59 101.19 8.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 111.025 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.533 ' HA ' ' CG ' ' A' ' 61' ' ' TYR . 1.6 t 40.51 72.14 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.369 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.7 t . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 110.388 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.406 ' N ' ' OE2' ' A' ' 17' ' ' GLU . 0.1 OUTLIER 172.84 -65.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.933 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.2 OUTLIER -113.38 -50.47 2.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.336 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -40.99 -33.29 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.422 ' CG ' ' N ' ' A' ' 18' ' ' ILE . 13.5 pt-20 -67.28 -49.89 62.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 15' ' ' ASN . 14.5 mm -72.05 -42.44 67.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 88.9 t -56.03 -43.85 76.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.447 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 22.7 t -68.58 -48.97 62.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 108.282 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -26.66 21.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.43 ' C ' ' N ' ' A' ' 24' ' ' LYS . . . -84.9 -69.03 0.68 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.447 ' CG2' ' HA ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -44.13 -27.55 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.43 ' N ' ' C ' ' A' ' 22' ' ' ALA . 0.9 OUTLIER -82.09 -55.8 4.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 m -51.12 -26.2 6.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.423 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.508 ' CG2' ' CB ' ' A' ' 29' ' ' GLU . 72.2 mt -73.04 -100.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.435 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 148.76 -75.04 0.27 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.493 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.7 OUTLIER -112.91 -25.76 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 0.758 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.508 ' CB ' ' CG2' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -65.8 -9.32 27.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.265 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.501 ' HA3' ' CE1' ' A' ' 71' ' ' PHE . . . 36.24 -155.15 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.485 1.115 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.41 94.76 3.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 109.347 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.443 ' CB ' ' HG3' ' A' ' 69' ' ' ARG . 1.3 t -79.39 -179.18 6.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.395 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.429 ' N ' HG21 ' A' ' 32' ' ' THR . . . -61.01 -67.07 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 35' ' ' GLN . . . -39.84 -50.38 2.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 34' ' ' ALA . 0.2 OUTLIER -37.17 -82.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.514 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 8.9 mp -44.78 -51.87 8.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.474 ' CG2' ' HG2' ' A' ' 42' ' ' MET . 5.3 m -44.41 -26.48 0.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.406 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.401 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -89.61 -45.84 9.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -51.83 -29.1 18.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.335 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.514 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -109.76 -78.21 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.466 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.2 OUTLIER 178.9 -47.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.474 ' HG2' ' CG2' ' A' ' 37' ' ' THR . 2.3 mtm 162.71 41.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.495 ' CB ' ' OE1' ' A' ' 46' ' ' GLU . 2.3 mm-40 -83.26 52.94 2.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.484 ' HA ' ' CG1' ' A' ' 47' ' ' VAL . 5.9 tttp -45.06 -27.23 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.412 ' N ' ' C ' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -65.96 -49.03 69.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 110.305 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.495 ' OE1' ' CB ' ' A' ' 43' ' ' GLU . 4.3 pt-20 -77.31 -37.18 53.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.516 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -68.1 -28.59 41.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.531 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 9.7 m-20 -75.27 -59.86 2.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -55.81 -29.56 59.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.03 -58.2 3.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.657 ' CD1' ' CE2' ' A' ' 70' ' ' TRP . 0.6 OUTLIER -49.69 -42.97 46.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.531 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 17.9 m-85 -62.2 -67.95 0.37 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -41.72 -50.19 4.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.2 mt -60.28 -41.77 94.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 52' ' ' TYR . 2.7 tp-100 -58.31 -49.82 75.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.256 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -70.75 -18.89 62.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.513 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 8.5 m -84.72 -32.7 23.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.973 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 57' ' ' SER . . . 84.98 21.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.73 -18.73 58.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.4 m -144.33 166.21 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.543 ' CG ' ' HA ' ' A' ' 73' ' ' THR . 1.9 m-85 -126.46 -169.24 1.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.6 141.45 49.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.507 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 1.0 OUTLIER -52.12 -39.8 60.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.004 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 63' ' ' SER . 1.5 t70 82.44 20.84 0.26 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.08 161.65 41.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.242 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.525 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 5.8 tt -92.95 135.92 25.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.2 Cg_endo -75.06 157.77 99.34 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.006 -2.497 . . . . 0.0 110.982 0.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 138.87 23.61 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 110.983 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.443 ' HG3' ' CB ' ' A' ' 32' ' ' THR . 1.3 mpt_? -148.75 141.23 24.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.657 ' CE2' ' CD1' ' A' ' 51' ' ' LEU . 86.5 m95 -82.74 117.85 22.95 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.501 ' CE1' ' HA3' ' A' ' 30' ' ' GLY . 6.4 m-30 -111.43 -170.12 1.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.526 ' CG ' ' O ' ' A' ' 72' ' ' MET . 1.8 ptt? -114.96 101.52 9.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.543 ' HA ' ' CG ' ' A' ' 61' ' ' TYR . 9.2 t 32.35 85.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.379 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.2 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.378 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.453 ' N ' ' OE2' ' A' ' 17' ' ' GLU . 0.2 OUTLIER 175.92 -61.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.995 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.419 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 0.2 OUTLIER -113.11 -51.35 2.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.93 -38.49 3.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.453 ' OE2' ' N ' ' A' ' 14' ' ' SER . 13.8 pt-20 -64.05 -46.39 84.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.42 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 2.9 mm -71.52 -34.27 52.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.419 ' CG2' ' O ' ' A' ' 15' ' ' ASN . 8.7 t -66.65 -34.84 72.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -74.01 -40.79 62.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 108.276 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.42 -28.01 67.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.258 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.495 ' CB ' ' OE1' ' A' ' 39' ' ' GLN . . . -78.53 -60.9 2.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.443 HD12 ' CA ' ' A' ' 71' ' ' PHE . 11.5 tt -46.89 -41.52 5.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.356 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -69.46 -50.98 40.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.71 -27.88 19.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.446 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.407 ' CG2' ' N ' ' A' ' 27' ' ' GLY . 67.6 mt -72.03 -101.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.407 ' N ' ' CG2' ' A' ' 26' ' ' ILE . . . 151.56 -78.11 0.21 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.115 . . . . 0.0 110.969 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.518 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -116.31 -27.73 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -62.74 -11.87 20.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.446 ' HA3' ' CE1' ' A' ' 71' ' ' PHE . . . 33.97 -151.73 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.478 ' HB1' ' CD1' ' A' ' 36' ' ' LEU . . . -130.2 98.59 4.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 0.794 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 34' ' ' ALA . 15.1 t -93.37 67.22 4.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.477 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . 64.12 -76.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.477 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -33.41 -53.54 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' ALA . 1.4 mm100 -37.58 -71.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.53 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 9.7 mp -51.7 -45.69 63.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.441 ' CG2' ' HA ' ' A' ' 42' ' ' MET . 60.0 m -54.2 -19.21 4.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.39 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.6 mtt-85 -96.01 -33.95 11.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.143 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.495 ' OE1' ' CB ' ' A' ' 22' ' ' ALA . 0.6 OUTLIER -63.42 -29.09 70.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.53 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -109.83 -78.65 0.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.47 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.2 OUTLIER 179.77 -42.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.47 ' CB ' ' O ' ' A' ' 41' ' ' ASN . 3.9 mtt 162.97 41.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.941 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.463 ' CB ' HD13 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -95.84 54.97 1.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.485 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 12.1 ttmt -49.21 -19.35 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.457 ' N ' ' C ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -67.97 -47.6 68.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 47' ' ' VAL . 0.2 OUTLIER -73.01 -36.37 66.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.24 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.485 ' CG2' ' HA ' ' A' ' 44' ' ' LYS . 1.0 OUTLIER -75.03 -25.86 18.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.549 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 21.6 m-20 -71.74 -56.73 5.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -62.68 -32.52 73.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.02 -42.23 66.6 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.564 ' HB3' ' CZ2' ' A' ' 70' ' ' TRP . 0.2 OUTLIER -64.8 -48.8 73.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.549 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 24.1 m-85 -55.86 -65.72 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -44.19 -54.52 5.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.3 mt -56.94 -34.7 68.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -57.91 -49.19 77.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.337 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.72 -18.41 60.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.432 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 66.2 m -79.19 -29.28 42.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.965 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 57' ' ' SER . . . 79.36 10.32 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.9 tpt -70.64 -28.08 64.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 111.04 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.8 m -123.96 167.91 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.562 ' CD1' ' HA ' ' A' ' 73' ' ' THR . 1.8 m-85 -127.4 -170.33 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.6 t -137.46 168.37 19.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.03 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 t -80.23 -23.91 40.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.009 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 t0 73.99 22.1 2.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.23 168.62 25.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.523 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 1.2 tp -97.34 137.48 21.15 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.2 Cg_endo -75.02 172.22 64.13 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.019 -2.492 . . . . 0.0 110.959 0.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 118.02 5.12 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.534 1.807 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -117.41 124.61 49.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.564 ' CZ2' ' HB3' ' A' ' 51' ' ' LEU . 66.3 m95 -82.86 118.29 23.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 108.037 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.518 ' CZ ' ' O ' ' A' ' 28' ' ' ILE . 4.8 m-30 -114.85 -170.57 1.77 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.472 ' O ' ' CG2' ' A' ' 73' ' ' THR . 0.1 OUTLIER -119.17 99.95 7.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 111.055 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.562 ' HA ' ' CD1' ' A' ' 61' ' ' TYR . 4.6 t 45.36 54.43 7.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.392 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.468 ' N ' ' CD2' ' A' ' 61' ' ' TYR . 15.2 t . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.409 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.4 t 178.69 -67.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.957 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -111.89 -50.06 2.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.44 -36.31 1.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -65.06 -47.46 77.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 15' ' ' ASN . 16.8 mm -72.96 -27.62 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.4 t -66.14 -45.25 90.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.456 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 14.0 p -73.1 -33.81 65.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 108.305 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -30.67 70.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.76 -61.11 2.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.456 ' CG2' ' HA ' ' A' ' 20' ' ' CYS . 8.5 tt -47.87 -39.82 8.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.69 -49.01 57.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.3 m -56.08 -27.72 54.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.384 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.449 ' CD1' ' O ' ' A' ' 30' ' ' GLY . 21.4 mt -72.72 -99.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.418 ' N ' HG21 ' A' ' 26' ' ' ILE . . . 138.72 -69.43 0.49 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.444 1.09 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.52 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -115.48 -30.13 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 0.744 . . . . 0.0 109.325 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.418 ' CB ' ' CG2' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -66.5 -8.47 26.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.477 ' HA3' ' CE1' ' A' ' 71' ' ' PHE . . . 36.6 -155.23 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -132.87 92.76 3.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 0.783 . . . . 0.0 109.248 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.405 HG23 ' N ' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -80.0 174.29 11.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.394 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 36' ' ' LEU . . . -61.57 -62.03 2.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.1 -39.37 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -72.43 -41.67 65.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.513 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -71.4 -6.85 43.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.251 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.465 ' CG2' ' HG3' ' A' ' 42' ' ' MET . 54.1 m -110.54 -21.94 11.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.07 -48.25 7.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -29.97 48.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.513 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -107.73 -80.7 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.41 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.3 OUTLIER 179.62 -50.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.465 ' HG3' ' CG2' ' A' ' 37' ' ' THR . 0.0 OUTLIER 166.71 39.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.956 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -88.18 53.94 2.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.538 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 20.8 tptt -56.4 -22.81 33.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -51.66 61.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -79.16 -34.55 43.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.467 HG12 ' CD1' ' A' ' 51' ' ' LEU . 1.0 OUTLIER -70.52 -23.63 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.538 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 5.3 t-20 -83.42 -48.08 10.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? -65.05 -33.3 75.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.8 -46.87 28.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.552 ' HB3' ' CH2' ' A' ' 70' ' ' TRP . 56.3 mt -65.19 -28.59 69.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.484 ' CE2' ' NH1' ' A' ' 56' ' ' ARG . 1.6 t80 -72.32 -50.52 26.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.409 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 0.9 OUTLIER -61.14 -40.2 92.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.1 mt -64.08 -43.58 95.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.49 -50.75 72.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.484 ' NH1' ' CE2' ' A' ' 52' ' ' TYR . 1.0 OUTLIER -71.55 -19.6 62.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.495 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 57.9 m -83.1 -31.75 27.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.028 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 57' ' ' SER . . . 84.56 18.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -78.24 -19.66 53.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.401 HG23 ' N ' ' A' ' 61' ' ' TYR . 8.1 m -136.93 -157.58 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.409 ' CG ' ' N ' ' A' ' 62' ' ' SER . 5.7 t80 -174.33 -174.24 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.409 ' N ' ' CG ' ' A' ' 61' ' ' TYR . 0.1 OUTLIER -119.5 154.88 33.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.995 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.0 t -69.02 -16.08 63.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.1 t0 63.22 30.14 15.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -166.75 163.77 16.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.531 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 23.6 mt -89.55 141.13 28.44 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.4 Cg_endo -75.05 166.67 82.64 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 120.98 -2.508 . . . . 0.0 110.993 0.021 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 110.91 3.21 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.488 1.783 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.3 mtt180 -128.23 139.68 52.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.552 ' CH2' ' HB3' ' A' ' 51' ' ' LEU . 58.4 m95 -83.78 120.52 26.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 108.016 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.52 ' CZ ' ' O ' ' A' ' 28' ' ' ILE . 4.3 m-30 -114.92 -173.52 2.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.495 ' O ' ' C ' ' A' ' 73' ' ' THR . 1.2 ptt? -109.18 76.0 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.495 ' C ' ' O ' ' A' ' 72' ' ' MET . 12.0 t 30.27 68.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.373 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.4 t . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.396 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 169.66 -79.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 0.0 110.018 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.489 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 24.5 t30 -103.49 -46.61 4.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.52 -42.32 2.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.4 ' C ' ' OE1' ' A' ' 17' ' ' GLU . 0.6 OUTLIER -71.04 -39.21 72.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.487 ' N ' ' O ' ' A' ' 15' ' ' ASN . 17.4 mm -69.62 -32.13 51.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' A' ' 15' ' ' ASN . 2.6 t -71.08 -40.18 75.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.253 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.457 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 15.3 t -70.43 -37.73 74.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 108.31 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -68.47 -31.91 71.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.5 -59.81 2.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.457 ' CG2' ' HA ' ' A' ' 20' ' ' CYS . 11.5 tt -45.76 -46.02 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.368 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -66.16 -48.05 72.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -55.55 -25.09 35.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 110.401 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.592 ' CG2' ' CB ' ' A' ' 29' ' ' GLU . 23.0 mt -77.18 -100.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.416 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 151.71 -76.32 0.23 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.504 1.128 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.513 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.7 OUTLIER -113.01 -22.52 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.754 . . . . 0.0 109.296 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.592 ' CB ' ' CG2' ' A' ' 26' ' ' ILE . 0.1 OUTLIER -64.93 -10.0 25.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.538 ' HA3' ' CD1' ' A' ' 71' ' ' PHE . . . 36.06 -154.58 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.118 . . . . 0.0 110.955 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.89 96.56 3.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 0.794 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.479 ' O ' ' CD1' ' A' ' 36' ' ' LEU . 7.3 t -80.37 -162.56 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . -81.89 -59.31 2.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -37.44 -59.02 0.8 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.52 -45.32 73.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.137 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.524 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 7.3 mp -66.65 -9.91 40.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.461 ' CG2' ' HA ' ' A' ' 42' ' ' MET . 80.7 m -104.73 -17.71 14.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.368 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -92.32 -52.52 4.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.454 1.096 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.71 -30.14 5.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.332 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.524 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -108.82 -80.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.422 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.3 OUTLIER -179.06 -51.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.461 ' HA ' ' CG2' ' A' ' 37' ' ' THR . 0.0 OUTLIER 165.97 39.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.989 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.82 55.5 1.88 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.528 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 82.7 tttt -58.65 -18.4 30.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.2 mtt-85 -62.25 -54.7 36.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.253 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -76.12 -37.43 58.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.26 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.446 ' CG2' HD21 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -67.52 -24.21 30.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 3.5 t-20 -79.16 -54.67 5.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -59.75 -30.02 68.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.59 -44.75 41.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.508 ' HB3' ' CH2' ' A' ' 70' ' ' TRP . 32.9 mt -62.56 -42.49 99.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.49 ' CD1' ' O ' ' A' ' 48' ' ' ASN . 3.0 m-85 -64.41 -43.89 92.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -63.1 -49.99 72.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.5 mt -58.7 -44.85 90.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 55' ' ' GLN . 0.3 OUTLIER -53.0 -53.62 47.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -19.96 65.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.528 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 32.0 t -81.43 -29.23 33.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.008 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 57' ' ' SER . . . 86.0 31.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -96.61 -15.55 21.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.464 ' CG1' ' O ' ' A' ' 71' ' ' PHE . 2.1 t -143.65 167.8 12.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.55 ' CG ' ' HA ' ' A' ' 73' ' ' THR . 1.6 m-85 -129.08 -172.71 2.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -127.68 150.62 49.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.973 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.57 -29.79 59.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.98 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 68.75 20.83 8.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -139.91 167.87 21.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.526 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -100.38 137.11 19.89 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.3 Cg_endo -75.01 172.48 62.8 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.969 0.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 120.1 5.92 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.493 1.786 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -135.99 141.48 44.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.508 ' CH2' ' HB3' ' A' ' 51' ' ' LEU . 22.0 m95 -90.23 128.41 36.38 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.538 ' CD1' ' HA3' ' A' ' 30' ' ' GLY . 3.5 m-30 -116.28 -169.47 1.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.587 1.18 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.7 tpt -117.13 105.24 12.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.936 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.55 ' HA ' ' CG ' ' A' ' 61' ' ' TYR . 2.4 t 39.83 65.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.45 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.402 ' CG2' ' HB3' ' A' ' 71' ' ' PHE . 13.3 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.3 t 174.0 -82.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.969 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.464 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 2.3 t-20 -113.08 -49.59 2.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -39.72 -52.03 2.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -62.04 -41.03 97.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.337 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' ASN . 22.0 mt -66.21 -36.63 77.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.464 ' CG2' ' O ' ' A' ' 15' ' ' ASN . 2.6 t -67.97 -33.4 61.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.99 -35.65 62.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 108.261 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -68.53 -32.64 72.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.19 -59.32 2.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.472 ' CD1' ' HG2' ' A' ' 72' ' ' MET . 0.0 OUTLIER -47.68 -44.59 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -61.58 -52.63 63.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -52.88 -26.2 14.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.406 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.474 ' CG2' ' HB2' ' A' ' 29' ' ' GLU . 84.7 mt -78.61 -101.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 153.31 -78.89 0.2 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.418 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -114.11 -22.38 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.474 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 1.9 tt0 -62.87 -11.28 17.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 29' ' ' GLU . . . 36.2 -155.1 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.461 1.1 . . . . 0.0 111.033 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -120.14 87.36 2.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 0.764 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.418 HG23 ' N ' ' A' ' 33' ' ' ALA . 1.2 t -81.36 179.55 7.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.381 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.418 ' N ' HG23 ' A' ' 32' ' ' THR . . . -56.08 -76.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 35' ' ' GLN . . . -38.93 -47.57 1.46 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.649 ' NE2' HE22 ' A' ' 39' ' ' GLN . 0.0 OUTLIER -37.79 -78.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.293 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.511 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 10.4 mp -46.85 -49.16 20.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.479 ' CG2' ' HA ' ' A' ' 42' ' ' MET . 98.9 m -49.73 -21.81 1.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.424 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.3 -38.38 11.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.649 HE22 ' NE2' ' A' ' 35' ' ' GLN . 1.2 mp0 -61.57 -30.41 70.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.256 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -110.56 -69.62 0.86 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 37' ' ' THR . 0.3 OUTLIER 172.35 -56.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.479 ' HA ' ' CG2' ' A' ' 37' ' ' THR . 4.8 ttp 176.38 35.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -87.35 51.88 2.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 110.266 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.474 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 13.5 ttmt -47.9 -21.74 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 46' ' ' GLU . 1.1 ptm180 -68.59 -39.31 80.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -81.54 -35.86 29.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.505 ' O ' ' CD1' ' A' ' 51' ' ' LEU . 1.0 OUTLIER -74.65 -26.44 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 11.9 t-20 -78.78 -53.75 6.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -60.28 -33.73 72.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.12 -39.55 60.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.249 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.555 ' CD2' ' NE1' ' A' ' 70' ' ' TRP . 4.1 mp -63.78 -41.38 97.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.411 ' CD1' ' N ' ' A' ' 53' ' ' ASP . 1.3 t80 -65.72 -51.22 61.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.411 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 0.4 OUTLIER -58.63 -57.62 12.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.1 mt -53.87 -38.88 65.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -61.77 -46.58 88.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.262 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.407 ' CD ' ' O ' ' A' ' 52' ' ' TYR . 0.5 OUTLIER -68.39 -20.9 64.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.506 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 43.1 t -83.15 -32.57 26.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.933 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 57' ' ' SER . . . 85.83 26.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -87.59 -16.28 34.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.1 t -137.55 164.97 27.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.55 ' CG ' ' HA ' ' A' ' 73' ' ' THR . 1.6 m-85 -128.19 -172.01 2.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.5 t -127.44 161.38 28.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.039 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -90.11 -8.14 52.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.996 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 51.96 43.19 30.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.357 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -164.03 166.44 21.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.495 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 22.6 mt -101.69 136.78 19.5 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.2 Cg_endo -75.03 173.4 58.11 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.963 -2.515 . . . . 0.0 110.975 0.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 108.41 2.71 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.486 1.782 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.427 ' NH1' ' HG2' ' A' ' 67' ' ' PRO . 6.9 mtt85 -114.84 119.93 38.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.555 ' NE1' ' CD2' ' A' ' 51' ' ' LEU . 57.5 m95 -79.05 122.67 26.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 108.021 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.418 ' CZ ' ' O ' ' A' ' 28' ' ' ILE . 6.0 m-30 -113.47 -169.47 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.472 ' HG2' ' CD1' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -117.03 99.92 7.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.976 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.55 ' HA ' ' CG ' ' A' ' 61' ' ' TYR . 1.8 t 42.36 69.4 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.416 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.349 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.5 t -120.14 -94.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.015 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.494 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 2.2 p30 -99.46 -50.99 3.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.79 -44.8 14.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.494 ' OE2' ' CD1' ' A' ' 18' ' ' ILE . 0.8 OUTLIER -61.57 -37.33 83.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.26 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.494 ' CD1' ' OE2' ' A' ' 17' ' ' GLU . 38.3 mm -78.15 -32.74 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.554 ' CG1' ' CD1' ' A' ' 54' ' ' LEU . 3.4 t -70.63 -32.94 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m -81.49 -40.03 23.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 108.29 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -68.19 -32.3 72.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 110.295 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.85 -61.01 2.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.477 ' CD1' ' HB2' ' A' ' 72' ' ' MET . 0.0 OUTLIER -48.85 -38.67 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -49.85 50.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.9 m -53.86 -26.39 24.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.477 ' CG2' ' HB3' ' A' ' 29' ' ' GLU . 91.7 mt -68.11 -101.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.471 ' N ' ' CG2' ' A' ' 26' ' ' ILE . . . 143.26 -76.98 0.29 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.454 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -119.2 -21.83 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.788 . . . . 0.0 109.323 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.477 ' HB3' ' CG2' ' A' ' 26' ' ' ILE . 7.2 tt0 -68.27 -6.15 22.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.507 ' HA3' ' CE1' ' A' ' 71' ' ' PHE . . . 35.81 -154.32 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.544 1.152 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -135.88 90.96 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 68' ' ' PRO . 0.6 OUTLIER -90.23 170.03 10.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.402 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . -43.84 -74.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 35' ' ' GLN . . . -38.12 -54.44 1.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.49 ' NE2' ' NE2' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -36.05 -80.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.424 ' CD2' ' HB ' ' A' ' 47' ' ' VAL . 9.5 mp -44.91 -52.27 8.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.462 ' CG2' ' HA ' ' A' ' 42' ' ' MET . 20.5 m -45.08 -24.98 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.403 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.407 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -91.42 -40.52 11.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.49 ' NE2' ' NE2' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -58.6 -29.64 66.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.458 HD11 ' CB ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -113.69 -70.73 0.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.428 ' O ' ' HB2' ' A' ' 42' ' ' MET . 0.2 OUTLIER 172.67 -56.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.288 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.484 ' O ' ' CG ' ' A' ' 42' ' ' MET . 0.2 OUTLIER 177.05 36.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.993 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.458 ' CB ' HD11 ' A' ' 40' ' ' LEU . 5.7 tt0 -85.68 51.93 2.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.342 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.476 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 22.6 tttt -45.86 -23.46 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.446 ' N ' ' C ' ' A' ' 43' ' ' GLU . 2.6 mtm180 -67.74 -44.31 77.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 110.236 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 43' ' ' GLU . 0.8 OUTLIER -75.66 -37.58 59.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.476 ' CG2' ' HA ' ' A' ' 44' ' ' LYS . 1.0 OUTLIER -72.23 -27.47 26.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.558 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 0.8 OUTLIER -73.42 -58.74 3.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -60.25 -30.12 69.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 46' ' ' GLU . . . -75.2 -44.88 43.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.571 ' HB3' ' CZ2' ' A' ' 70' ' ' TRP . 0.2 OUTLIER -62.66 -42.02 99.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 109.323 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.558 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 24.8 m-85 -64.32 -67.02 0.47 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 111.045 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -43.01 -48.3 5.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.554 ' CD1' ' CG1' ' A' ' 19' ' ' VAL . 12.1 mt -63.07 -39.4 94.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' TYR . 2.5 tt0 -59.51 -51.05 71.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -69.53 -21.92 63.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.509 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 1.7 m -82.33 -30.22 30.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.041 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 57' ' ' SER . . . 85.36 23.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.475 ' HE2' ' CD2' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -83.68 -11.42 57.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.7 m -152.18 161.42 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.546 ' CD2' ' HA ' ' A' ' 73' ' ' THR . 1.9 m-85 -125.2 -167.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.4 t -126.47 160.35 30.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.989 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -86.23 -25.41 25.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.051 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 75.05 22.85 1.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -143.11 173.74 11.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.519 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -106.83 137.88 19.62 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.2 Cg_endo -75.0 173.14 59.46 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.996 0.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.406 ' O ' ' OG1' ' A' ' 32' ' ' THR . 18.3 Cg_endo -75.05 107.47 2.49 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.492 1.786 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.75 128.24 55.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.571 ' CZ2' ' HB3' ' A' ' 51' ' ' LEU . 59.1 m95 -82.0 125.42 30.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 108.008 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.507 ' CE1' ' HA3' ' A' ' 30' ' ' GLY . 3.8 m-30 -115.36 -169.12 1.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.477 ' HB2' ' CD1' ' A' ' 23' ' ' ILE . 1.0 OUTLIER -112.1 98.14 7.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 110.987 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.546 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 0.8 OUTLIER 37.22 87.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.5 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.392 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.8 t -158.39 -74.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.989 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.485 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 0.2 OUTLIER -113.71 -45.2 3.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.15 -37.5 22.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -64.76 -47.62 77.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.1 mm -70.25 -34.54 59.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 15' ' ' ASN . 21.4 t -67.84 -35.19 71.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.463 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 49.9 t -78.88 -34.61 44.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 108.287 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -65.83 -33.79 76.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.58 -60.81 2.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.463 ' CG2' ' HA ' ' A' ' 20' ' ' CYS . 17.6 tt -49.35 -39.82 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -69.67 -51.04 38.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.3 m -53.07 -27.14 18.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.36 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.532 ' CG2' ' CB ' ' A' ' 29' ' ' GLU . 13.3 mt -75.86 -100.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.432 ' N ' HG21 ' A' ' 26' ' ' ILE . . . 144.04 -74.2 0.32 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.473 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -114.65 -23.51 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.759 . . . . 0.0 109.293 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.532 ' CB ' ' CG2' ' A' ' 26' ' ' ILE . 1.8 tt0 -67.53 -7.49 26.37 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.481 ' HA3' ' CD1' ' A' ' 71' ' ' PHE . . . 36.75 -155.63 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.464 ' O ' ' CD1' ' A' ' 36' ' ' LEU . . . -121.31 89.27 3.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.9 t -81.19 174.38 11.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.371 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' LEU . . . -55.38 -65.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.345 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -37.83 -61.8 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.408 ' O ' ' NE2' ' A' ' 39' ' ' GLN . 21.0 mt-30 -55.26 -40.23 70.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.524 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 2.3 mt -75.07 -2.51 27.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.462 ' CG2' ' HA ' ' A' ' 42' ' ' MET . 99.7 m -112.1 -15.0 13.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.431 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.18 -33.81 9.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.408 ' NE2' ' O ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -62.1 -29.4 70.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.524 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -104.23 -104.17 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.418 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.5 OUTLIER -161.54 25.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.462 ' HA ' ' CG2' ' A' ' 37' ' ' THR . 0.0 OUTLIER 75.4 41.88 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 111.023 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.438 ' C ' ' N ' ' A' ' 45' ' ' ARG . 8.2 mm-40 -96.22 59.94 1.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.479 ' HA ' ' CG1' ' A' ' 47' ' ' VAL . 7.3 ttpt -45.35 -25.38 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.438 ' N ' ' C ' ' A' ' 43' ' ' GLU . 1.8 mtt85 -63.87 -51.32 65.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.42 ' HG2' ' CB ' ' A' ' 43' ' ' GLU . 7.9 pt-20 -76.07 -37.69 57.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.479 ' CG1' ' HA ' ' A' ' 44' ' ' LYS . 0.4 OUTLIER -67.81 -25.79 33.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.554 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 27.5 m-20 -76.88 -59.81 2.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -52.96 -32.78 47.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.59 -65.79 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.515 ' HG ' ' CE2' ' A' ' 70' ' ' TRP . 4.9 mp -41.43 -42.52 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.554 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 13.2 m-85 -61.98 -67.19 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -44.29 -48.71 9.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.526 ' CD1' ' SD ' ' A' ' 59' ' ' MET . 22.3 mt -58.64 -46.38 87.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -55.18 -38.99 69.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.26 -17.21 50.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.525 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 8.3 t -85.44 -36.76 20.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.021 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 57' ' ' SER . . . 86.05 22.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.526 ' SD ' ' CD1' ' A' ' 54' ' ' LEU . 1.1 ptm -80.78 -19.83 43.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.434 ' N ' ' HG3' ' A' ' 59' ' ' MET . 34.8 m -135.34 163.72 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.535 ' CD2' ' HA ' ' A' ' 73' ' ' THR . 1.8 m-85 -125.37 -166.97 1.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 31.2 t -125.21 168.15 13.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.576 1.173 . . . . 0.0 109.979 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.593 ' OG ' ' CZ ' ' A' ' 71' ' ' PHE . 4.7 m -89.83 -28.84 19.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.995 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.4 ' CB ' ' O ' ' A' ' 63' ' ' SER . 2.7 m-20 75.47 42.35 0.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -170.23 177.56 4.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.528 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 5.1 mp -109.12 139.5 21.04 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.3 Cg_endo -74.96 173.46 57.74 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.059 -0.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 123.73 8.1 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.48 1.779 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 25.0 mtp85 -133.23 138.53 46.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.515 ' CE2' ' HG ' ' A' ' 51' ' ' LEU . 23.1 m95 -91.13 121.11 32.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 108.01 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.593 ' CZ ' ' OG ' ' A' ' 63' ' ' SER . 6.3 m-30 -108.1 -170.4 1.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 111.063 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.48 ' O ' ' C ' ' A' ' 73' ' ' THR . 1.4 ttp -116.53 95.08 4.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.97 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.535 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 12.9 t 32.24 89.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.392 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.9 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.399 179.942 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 171.91 -84.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.027 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 18' ' ' ILE . 13.8 t-20 -116.37 -45.11 2.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.02 -44.32 4.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.429 ' OE1' ' N ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -68.72 -36.96 79.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.46 ' N ' ' O ' ' A' ' 15' ' ' ASN . 14.5 mm -71.74 -49.04 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.0 t -55.11 -41.45 59.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.438 ' HA ' HG22 ' A' ' 23' ' ' ILE . 17.3 t -68.82 -63.47 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 108.299 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -42.12 -27.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.42 ' N ' ' C ' ' A' ' 20' ' ' CYS . . . -78.97 -64.88 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.468 ' CD1' ' HG2' ' A' ' 72' ' ' MET . 0.0 OUTLIER -54.17 -19.01 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.1 -44.07 13.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.88 -32.59 70.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.383 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.434 ' CG2' ' CB ' ' A' ' 29' ' ' GLU . 6.7 mt -68.27 -101.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.418 ' N ' ' CG2' ' A' ' 26' ' ' ILE . . . 155.11 -80.49 0.18 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.424 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.7 OUTLIER -114.04 -18.82 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 0.794 . . . . 0.0 109.276 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.434 ' CB ' ' CG2' ' A' ' 26' ' ' ILE . 1.8 tt0 -67.97 -6.37 21.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.337 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.47 ' HA3' ' CE1' ' A' ' 71' ' ' PHE . . . 37.2 -155.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -124.4 87.61 2.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.458 ' O ' ' CD1' ' A' ' 36' ' ' LEU . 3.6 t -84.27 163.07 19.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.403 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . -53.33 -58.0 8.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -37.27 -65.7 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.79 -42.23 64.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.514 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 2.9 mp -66.03 -10.96 44.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 92.9 m -107.05 -17.36 14.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 110.461 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.9 -51.63 4.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.07 -31.49 7.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.514 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -103.7 -77.98 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.481 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.3 OUTLIER 171.71 -40.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.481 ' CB ' ' O ' ' A' ' 41' ' ' ASN . 2.4 mtt 161.84 40.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.408 ' CB ' HD11 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -92.98 53.21 1.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.34 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.482 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 2.1 tttt -53.34 -19.07 2.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -68.28 -48.49 64.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -71.49 -39.97 70.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.482 ' CG2' ' HA ' ' A' ' 44' ' ' LYS . 1.0 OUTLIER -69.93 -28.37 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.597 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -69.59 -56.09 8.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.322 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.02 -27.47 69.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.94 -37.25 48.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.581 HD23 ' CD1' ' A' ' 70' ' ' TRP . 24.3 mt -71.31 -41.0 70.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.597 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 28.9 m-85 -65.7 -58.68 5.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -51.8 -53.21 42.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.415 ' HB3' ' CG2' ' A' ' 60' ' ' VAL . 12.3 mt -57.62 -44.65 85.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.422 ' NE2' ' HD2' ' A' ' 56' ' ' ARG . 1.8 tt0 -51.5 -51.92 51.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.422 ' HD2' ' NE2' ' A' ' 55' ' ' GLN . 0.2 OUTLIER -72.37 -17.96 61.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.426 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 50.4 m -81.44 -28.38 34.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.426 ' CB ' ' O ' ' A' ' 57' ' ' SER . . . 78.39 15.03 1.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.356 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.5 tpp -77.22 -19.68 56.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.461 1.1 . . . . 0.0 111.034 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.415 ' CG2' ' HB3' ' A' ' 54' ' ' LEU . 15.4 m -136.52 157.78 37.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.545 ' CG ' ' HA ' ' A' ' 73' ' ' THR . 1.9 m-85 -125.66 -168.54 1.86 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 111.041 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.99 160.55 29.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.959 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 52.8 m -87.86 -14.82 38.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.994 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 60.47 25.11 14.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -147.88 169.5 19.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.231 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.526 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 4.9 mp -100.7 140.14 21.13 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.2 Cg_endo -75.01 172.51 62.68 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 121.021 -2.491 . . . . 0.0 111.025 0.004 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 108.81 2.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.522 1.801 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 48.2 mtt180 -124.17 135.16 53.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.581 ' CD1' HD23 ' A' ' 51' ' ' LEU . 51.8 m95 -87.6 122.27 31.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 108.001 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.47 ' CE1' ' HA3' ' A' ' 30' ' ' GLY . 5.9 m-30 -109.44 -169.24 1.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.468 ' HG2' ' CD1' ' A' ' 23' ' ' ILE . 5.7 ptm -114.06 97.2 6.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.966 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.545 ' HA ' ' CG ' ' A' ' 61' ' ' TYR . 9.8 t 32.73 89.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.391 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.0 p . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.371 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.44 ' N ' ' OE2' ' A' ' 17' ' ' GLU . 30.0 t -178.37 -65.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.97 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.463 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 0.2 OUTLIER -112.32 -48.97 2.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.24 -37.38 4.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.44 ' OE2' ' N ' ' A' ' 14' ' ' SER . 13.2 pt-20 -65.88 -46.73 77.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.424 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 13.2 mm -70.87 -29.91 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.463 ' CG2' ' O ' ' A' ' 15' ' ' ASN . 15.6 t -68.98 -40.87 81.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -75.06 -31.45 61.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 108.32 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -69.85 -42.27 73.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.26 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.38 -56.67 5.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.473 ' HA ' ' CD1' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -48.75 -41.8 12.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -68.19 -50.51 53.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -53.62 -28.41 32.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.422 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.483 ' CG2' ' HB3' ' A' ' 29' ' ' GLU . 44.5 mt -65.78 -100.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.451 ' N ' ' CG2' ' A' ' 26' ' ' ILE . . . 138.47 -75.29 0.38 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.562 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -117.45 -26.0 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.483 ' HB3' ' CG2' ' A' ' 26' ' ' ILE . 1.3 tt0 -66.94 -5.26 11.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.584 1.178 . . . . 0.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.538 ' HA3' ' CD1' ' A' ' 71' ' ' PHE . . . 35.31 -154.43 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.473 ' HB1' ' CD1' ' A' ' 36' ' ' LEU . . . -142.47 96.34 2.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.473 ' CB ' ' HB3' ' A' ' 69' ' ' ARG . 0.6 OUTLIER -79.28 -175.89 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.412 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.49 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . -52.9 -77.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.49 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -33.42 -58.53 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -36.31 -85.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.085 . . . . 0.0 110.263 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.551 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 1.5 mp -43.76 -54.85 4.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.2 m -42.22 -25.54 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.399 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.422 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -91.33 -40.26 11.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 36' ' ' LEU . 1.9 mp0 -50.29 -28.37 7.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.551 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -100.98 -105.16 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.436 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.3 OUTLIER -163.86 25.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.253 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.436 ' CB ' ' O ' ' A' ' 41' ' ' ASN . 1.9 ttt 76.81 51.88 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.5 OUTLIER -110.95 69.38 0.68 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.481 ' HA ' ' CG1' ' A' ' 47' ' ' VAL . 10.2 tttt -40.6 -28.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -64.39 -48.97 73.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -78.16 -35.17 49.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.322 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.481 ' CG1' ' HA ' ' A' ' 44' ' ' LYS . 0.4 OUTLIER -70.67 -25.24 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.574 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 23.4 m-20 -79.23 -56.3 4.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.238 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -58.98 -31.81 69.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.18 -52.95 12.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.499 ' HG ' ' CE2' ' A' ' 70' ' ' TRP . 5.6 mp -53.98 -45.96 71.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.574 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 19.5 m-85 -59.68 -67.43 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.55 -50.76 5.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.457 ' CD2' ' HE2' ' A' ' 59' ' ' MET . 11.1 mt -53.8 -41.12 66.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.125 . . . . 0.0 109.352 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 52' ' ' TYR . 30.0 tt0 -66.05 -56.97 8.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.261 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -53.07 -23.47 7.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 110.303 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.575 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 1.5 p -88.96 -37.3 15.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.971 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.575 ' CB ' ' O ' ' A' ' 57' ' ' SER . . . 89.14 15.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.457 ' HE2' ' CD2' ' A' ' 54' ' ' LEU . 0.9 OUTLIER -62.79 -24.29 67.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.7 m -137.34 167.79 22.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.541 ' CD2' ' HA ' ' A' ' 73' ' ' THR . 1.9 m-85 -125.26 -167.46 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.2 t -133.78 148.58 51.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.426 ' C ' ' N ' ' A' ' 65' ' ' ASP . 22.6 t -83.2 -11.14 58.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 t0 45.63 26.29 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.426 ' N ' ' C ' ' A' ' 63' ' ' SER . 0.8 OUTLIER -151.25 170.14 20.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.514 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -89.15 138.03 29.14 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.3 Cg_endo -74.98 149.71 94.29 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.015 -0.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.471 ' HD3' ' CD1' ' A' ' 66' ' ' ILE . 18.4 Cg_endo -75.0 107.98 2.61 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.546 1.814 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.473 ' HB3' ' CB ' ' A' ' 32' ' ' THR . 0.0 OUTLIER -144.67 -176.74 5.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.499 ' CE2' ' HG ' ' A' ' 51' ' ' LEU . 7.7 m95 -109.04 133.7 52.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 108.044 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.562 ' CZ ' ' O ' ' A' ' 28' ' ' ILE . 2.5 m-30 -117.66 -168.76 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.467 ' HB2' ' CD1' ' A' ' 23' ' ' ILE . 36.8 ttp -114.89 98.14 6.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 111.055 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.541 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 0.7 OUTLIER 38.19 85.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.356 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.5 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 110.406 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.415 ' CD ' ' OE1' ' A' ' 17' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.16 -64.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.022 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -112.68 -51.61 2.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.43 -35.24 0.98 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 18' ' ' ILE . 23.9 pt-20 -63.85 -46.72 83.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 15' ' ' ASN . 24.9 mt -73.97 -29.91 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.461 HG11 ' CD1' ' A' ' 54' ' ' LEU . 17.3 t -68.33 -38.98 80.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.419 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 5.3 t -75.63 -34.56 60.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 108.289 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -68.17 -32.97 73.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.04 -61.01 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.458 HD13 ' CA ' ' A' ' 71' ' ' PHE . 12.2 tt -46.15 -43.2 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -66.08 -50.47 64.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -53.51 -25.8 18.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.454 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.473 ' CG2' ' HB3' ' A' ' 29' ' ' GLU . 42.0 mt -73.85 -100.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.28 -72.62 0.4 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.481 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.7 OUTLIER -118.83 -31.11 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.265 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.473 ' HB3' ' CG2' ' A' ' 26' ' ' ILE . 2.5 tp10 -63.56 -9.78 14.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.254 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.443 ' HA3' ' CE1' ' A' ' 71' ' ' PHE . . . 36.28 -154.62 0.01 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -124.72 89.16 3.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.5 t -86.23 160.42 19.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.387 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 36' ' ' LEU . . . -51.7 -63.39 1.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -38.18 -53.78 1.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.493 ' NE2' ' NE2' ' A' ' 39' ' ' GLN . 6.3 tp60 -56.53 -46.89 80.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.509 ' O ' ' CG ' ' A' ' 40' ' ' LEU . 9.7 mp -69.64 -6.59 32.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.48 ' CG2' ' HA ' ' A' ' 42' ' ' MET . 52.1 m -106.66 -15.71 14.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 110.412 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.49 -51.64 4.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.493 ' NE2' ' NE2' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -50.35 -35.52 28.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.313 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.509 ' CG ' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -102.88 -77.5 0.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.447 ' O ' ' HB2' ' A' ' 42' ' ' MET . 0.3 OUTLIER 179.29 -56.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.502 ' O ' ' CG ' ' A' ' 42' ' ' MET . 1.9 ttt 175.96 36.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -85.33 50.94 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.263 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 13.3 ttpt -54.99 -17.29 3.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.1 ttm-85 -68.74 -46.53 68.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -74.34 -39.0 63.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.266 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.47 ' CG2' ' HA ' ' A' ' 44' ' ' LYS . 1.0 OUTLIER -72.29 -25.91 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 7.3 t30 -73.21 -62.94 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.4 tptt -54.33 -37.98 65.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.0 -53.14 42.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.575 ' HB3' ' CZ2' ' A' ' 70' ' ' TRP . 0.5 OUTLIER -54.81 -65.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 109.258 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.407 ' O ' ' N ' ' A' ' 55' ' ' GLN . 0.6 OUTLIER -38.75 -63.07 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -44.13 -53.31 6.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.461 ' CD1' HG11 ' A' ' 19' ' ' VAL . 24.0 mt -55.08 -39.24 69.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 52' ' ' TYR . 29.5 tt0 -59.57 -47.53 85.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.23 -17.96 61.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 19.5 m -86.99 -33.36 19.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 57' ' ' SER . . . 84.34 22.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.411 ' CG ' ' HB3' ' A' ' 57' ' ' SER . 0.7 OUTLIER -85.6 -10.23 56.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.446 ' CG2' ' HB3' ' A' ' 54' ' ' LEU . 21.1 m -144.54 171.07 7.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.577 ' CD1' ' HA ' ' A' ' 73' ' ' THR . 11.1 m-85 -134.13 -174.64 3.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.5 t -120.21 164.17 16.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.989 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.9 m -89.68 -17.49 28.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.022 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 60.21 22.56 11.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.249 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -141.84 168.41 19.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.499 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 3.1 tp -104.57 135.28 19.34 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.3 Cg_endo -75.0 172.85 60.95 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.009 -0.021 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 113.8 3.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.475 1.776 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 63.7 mtm-85 -121.46 126.41 49.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.575 ' CZ2' ' HB3' ' A' ' 51' ' ' LEU . 49.3 m95 -79.5 122.86 26.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 107.995 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.481 ' CZ ' ' O ' ' A' ' 28' ' ' ILE . 5.5 m-30 -112.55 -170.97 1.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.416 ' O ' ' C ' ' A' ' 73' ' ' THR . 0.9 OUTLIER -118.47 106.45 12.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.577 ' HA ' ' CD1' ' A' ' 61' ' ' TYR . 0.7 OUTLIER 37.07 91.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.382 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 42.4 p . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.436 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 170.91 -81.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.566 1.166 . . . . 0.0 109.972 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.47 ' O ' ' N ' ' A' ' 18' ' ' ILE . 13.7 t-20 -112.63 -46.06 3.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.432 ' CB ' HD23 ' A' ' 54' ' ' LEU . . . -41.42 -43.88 2.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.402 ' C ' ' OE1' ' A' ' 17' ' ' GLU . 0.7 OUTLIER -68.86 -39.9 79.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.35 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 15' ' ' ASN . 13.8 mm -68.42 -35.76 72.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.447 ' CG2' ' O ' ' A' ' 15' ' ' ASN . 2.7 t -66.95 -40.89 86.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.404 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 0.9 OUTLIER -66.51 -40.37 89.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 108.291 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.19 -33.19 75.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.03 -62.42 1.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.439 HD11 ' CA ' ' A' ' 71' ' ' PHE . 2.5 tt -44.65 -38.57 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.56 -46.81 68.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.8 m -59.3 -28.3 66.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.421 HG22 ' N ' ' A' ' 27' ' ' GLY . 20.5 mm -60.57 -96.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.491 ' O ' ' CE ' ' A' ' 72' ' ' MET . . . 140.7 -71.15 0.43 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.497 ' CD1' ' N ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -119.68 -31.78 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.497 ' N ' ' CD1' ' A' ' 28' ' ' ILE . 1.2 tp10 -63.99 -11.09 25.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.432 ' HA3' ' CE1' ' A' ' 71' ' ' PHE . . . 35.49 -154.13 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.511 1.132 . . . . 0.0 110.949 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.451 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . . . -129.97 89.83 2.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 0.751 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.2 t -81.33 -159.19 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.42 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . -69.07 -75.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 35' ' ' GLN . . . -36.61 -58.56 0.72 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 34' ' ' ALA . 5.1 mm100 -34.71 -84.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.346 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.555 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 2.9 mp -44.39 -53.34 6.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.456 ' CG2' ' HA ' ' A' ' 42' ' ' MET . 19.4 m -42.83 -25.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.4 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.421 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -91.86 -41.39 10.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 36' ' ' LEU . 2.9 mp0 -51.66 -29.75 19.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.555 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -102.4 -104.67 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.423 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.4 OUTLIER -162.78 25.34 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.456 ' HA ' ' CG2' ' A' ' 37' ' ' THR . 8.6 ttm 76.21 51.87 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER -108.87 68.25 0.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.261 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.475 ' HA ' ' CG1' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -40.5 -29.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.257 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.452 ' N ' ' C ' ' A' ' 43' ' ' GLU . 1.2 mtm-85 -63.41 -49.14 74.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.343 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 43' ' ' GLU . 6.7 pt-20 -80.6 -36.25 33.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.475 ' CG1' ' HA ' ' A' ' 44' ' ' LYS . 0.4 OUTLIER -67.76 -25.35 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 32.7 t-20 -83.99 -47.44 10.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.21 -30.96 71.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.74 -52.08 9.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.556 ' HB3' ' CZ2' ' A' ' 70' ' ' TRP . 13.4 mt -58.63 -33.59 70.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.529 ' CD2' ' N ' ' A' ' 53' ' ' ASP . 3.2 t80 -69.85 -62.37 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.529 ' N ' ' CD2' ' A' ' 52' ' ' TYR . 0.4 OUTLIER -49.55 -42.39 43.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.432 HD23 ' CB ' ' A' ' 16' ' ' ALA . 13.7 mt -65.04 -38.74 91.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -61.16 -42.84 99.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.332 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -80.46 -17.65 51.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 65.1 m -80.42 -31.53 37.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 57' ' ' SER . . . 83.69 16.64 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -20.29 56.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 111.035 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.5 m -140.7 178.24 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.597 ' CD1' ' HA ' ' A' ' 73' ' ' THR . 15.6 m-85 -138.44 -179.61 5.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.66 154.73 33.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.039 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.0 t -81.01 -17.77 49.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 59.64 27.79 17.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -148.27 167.25 25.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.524 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 8.4 tt -102.52 135.95 19.44 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.3 Cg_endo -74.98 169.46 74.5 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.991 -2.504 . . . . 0.0 110.973 -0.043 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 117.11 4.78 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.515 1.797 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.409 ' NH1' ' HD2' ' A' ' 67' ' ' PRO . 8.3 mtm-85 -128.27 129.18 45.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.556 ' CZ2' ' HB3' ' A' ' 51' ' ' LEU . 49.8 m95 -83.19 121.78 27.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 107.979 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.439 ' CA ' HD11 ' A' ' 23' ' ' ILE . 3.7 m-30 -115.73 175.98 5.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.491 ' CE ' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -100.23 109.99 22.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.597 ' HA ' ' CD1' ' A' ' 61' ' ' TYR . 0.8 OUTLIER 37.2 90.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.375 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.3 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.404 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.6 t 175.5 -92.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.012 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.494 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 17.7 t30 -108.76 -45.58 3.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.54 -45.64 3.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.65 -38.62 80.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.239 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 15' ' ' ASN . 18.1 mt -69.33 -32.3 52.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 15' ' ' ASN . 2.8 t -70.97 -39.77 75.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.461 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 1.7 m -69.71 -34.32 73.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 108.335 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.91 -37.63 76.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.7 -56.35 7.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.461 ' CG2' ' HA ' ' A' ' 20' ' ' CYS . 4.3 tt -51.15 -42.95 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.6 -51.25 70.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 m -60.47 -24.5 65.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.393 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.434 ' CG2' ' HB3' ' A' ' 29' ' ' GLU . 2.1 mm -74.77 -100.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.412 ' N ' HG23 ' A' ' 26' ' ' ILE . . . 136.22 -69.18 0.52 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.543 1.152 . . . . 0.0 111.022 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.52 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -116.39 -31.79 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 0.786 . . . . 0.0 109.343 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.434 ' HB3' ' CG2' ' A' ' 26' ' ' ILE . 1.5 tt0 -64.96 -8.84 17.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.451 ' HA3' ' CE1' ' A' ' 71' ' ' PHE . . . 36.42 -155.69 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.438 1.086 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.506 ' CB ' ' CD1' ' A' ' 36' ' ' LEU . . . -116.44 91.82 3.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.461 ' HB ' ' CZ ' ' A' ' 69' ' ' ARG . 1.6 t -79.42 -175.54 4.78 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 110.395 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.416 ' N ' HG21 ' A' ' 32' ' ' THR . . . -57.14 -73.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -39.5 -51.01 2.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.44 ' O ' ' NE2' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -38.12 -84.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.566 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 6.6 mp -48.08 -52.15 21.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.46 ' CG2' ' HG3' ' A' ' 42' ' ' MET . 13.3 m -42.22 -25.37 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 110.429 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.433 ' N ' ' C ' ' A' ' 36' ' ' LEU . 25.6 mtp85 -93.37 -38.98 11.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.249 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.473 ' NE2' ' N ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -53.12 -31.63 43.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.566 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -97.48 -103.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.447 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.3 OUTLIER -160.52 24.57 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.46 ' HG3' ' CG2' ' A' ' 37' ' ' THR . 0.0 OUTLIER 77.92 39.52 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 110.933 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 46' ' ' GLU . 9.0 mm-40 -98.65 64.34 1.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.341 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.475 ' HA ' ' CG1' ' A' ' 47' ' ' VAL . 27.1 tttt -39.53 -29.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.458 ' N ' ' C ' ' A' ' 43' ' ' GLU . 8.8 mtt-85 -60.77 -51.37 69.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.36 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 43' ' ' GLU . 7.0 pt-20 -75.67 -37.31 59.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.475 ' CG1' ' HA ' ' A' ' 44' ' ' LYS . 0.4 OUTLIER -66.58 -27.8 41.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 4.0 m-20 -75.97 -63.16 1.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.96 -27.82 46.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.437 ' CB ' ' O ' ' A' ' 46' ' ' GLU . . . -77.71 -45.4 24.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.522 ' HG ' ' CE2' ' A' ' 70' ' ' TRP . 4.6 mp -60.62 -39.97 90.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -67.16 -59.06 3.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.38 -45.63 35.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.5 mt -66.6 -35.46 80.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -61.44 -43.76 98.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.449 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 0.5 OUTLIER -82.26 -17.27 46.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.32 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 21.6 t -77.9 -30.88 50.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 57' ' ' SER . . . 82.11 18.32 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -79.87 -20.6 45.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.8 m -143.03 164.07 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.531 ' CG ' ' HA ' ' A' ' 73' ' ' THR . 1.9 m-85 -126.05 -169.01 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.67 164.05 21.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.953 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.2 t -89.45 -14.78 34.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.007 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.8 t70 54.43 42.03 31.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -169.8 157.69 7.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.519 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 4.7 mp -91.9 140.54 24.86 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.3 Cg_endo -75.04 170.2 72.5 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.047 -2.48 . . . . 0.0 110.983 0.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 135.84 19.52 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 0.0 110.989 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.461 ' CZ ' ' HB ' ' A' ' 32' ' ' THR . 1.6 mtp85 -154.46 135.28 13.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.522 ' CE2' ' HG ' ' A' ' 51' ' ' LEU . 28.7 m95 -87.52 123.07 32.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 108.016 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.52 ' CZ ' ' O ' ' A' ' 28' ' ' ILE . 8.3 m-30 -112.74 -169.25 1.44 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.418 ' N ' HD13 ' A' ' 23' ' ' ILE . 7.8 ttp -111.71 99.54 8.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.531 ' HA ' ' CG ' ' A' ' 61' ' ' TYR . 0.6 OUTLIER 57.87 156.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.411 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.526 ' N ' ' CD2' ' A' ' 61' ' ' TYR . 15.1 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.403 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.523 ' CD ' ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.3 t 167.26 -98.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.959 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.2 OUTLIER -114.97 -35.34 4.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 109.274 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.5 -38.21 63.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.245 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 18' ' ' ILE . 26.7 pt-20 -62.33 -45.92 91.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.436 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 5.3 mt -74.64 -38.93 46.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.7 t -63.52 -29.67 47.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.468 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 1.7 m -80.51 -39.09 28.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 108.31 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.06 -35.33 80.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.41 -61.58 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.468 ' CG2' ' HA ' ' A' ' 20' ' ' CYS . 15.2 tt -46.3 -37.72 3.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.359 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -67.74 -50.82 55.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.4 m -55.16 -25.46 32.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.447 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.422 HG21 ' N ' ' A' ' 30' ' ' GLY . 4.2 mm -68.43 -100.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.412 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 136.36 -68.9 0.52 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.541 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -116.58 -31.7 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.775 . . . . 0.0 109.348 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 30' ' ' GLY . 0.7 OUTLIER -64.02 -10.54 22.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.562 ' HA3' ' CD1' ' A' ' 71' ' ' PHE . . . 36.84 -156.12 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.84 95.66 3.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 0.719 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 t -79.83 160.25 26.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.422 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' LEU . . . -41.5 -67.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -37.78 -61.23 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -54.97 -40.69 70.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.527 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -74.17 -3.64 30.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.469 ' CG2' ' HA ' ' A' ' 42' ' ' MET . 54.1 m -112.68 -12.97 13.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.347 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.56 -34.96 8.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -29.47 66.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.527 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -100.6 -103.16 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.4 ' O ' ' HB2' ' A' ' 42' ' ' MET . 0.4 OUTLIER -161.85 25.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.469 ' HA ' ' CG2' ' A' ' 37' ' ' THR . 30.0 mtp 73.2 46.89 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.052 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 46' ' ' GLU . 1.0 OUTLIER -98.19 61.0 1.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.15 . . . . 0.0 110.336 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 3.2 ttmm -41.78 -28.34 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.249 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.433 ' N ' ' C ' ' A' ' 43' ' ' GLU . 72.5 mtm-85 -65.01 -48.96 72.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 43' ' ' GLU . 10.9 pt-20 -79.83 -36.48 36.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.484 ' CG1' ' HA ' ' A' ' 44' ' ' LYS . 0.4 OUTLIER -69.35 -24.3 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 14.2 t-20 -81.68 -55.54 4.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.85 -31.91 65.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.94 -61.59 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.454 ' HG ' ' CE2' ' A' ' 70' ' ' TRP . 6.4 mp -43.06 -37.27 1.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.53 ' CD2' ' N ' ' A' ' 53' ' ' ASP . 3.1 t80 -69.36 -62.88 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.53 ' N ' ' CD2' ' A' ' 52' ' ' TYR . 3.8 t0 -45.68 -48.39 15.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 58' ' ' ALA . 48.8 mt -59.38 -48.33 82.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -55.09 25.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.454 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 9.4 mpt_? -67.2 -18.29 65.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 34.0 m -85.41 -33.23 22.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.02 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 57' ' ' SER . . . 82.03 5.84 1.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.338 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.4 tpt -61.93 -29.01 69.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.9 m -125.73 164.19 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.54 ' CD2' ' HA ' ' A' ' 73' ' ' THR . 1.5 m-85 -124.9 -166.54 1.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 t -130.69 173.41 10.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.986 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 7.7 t -89.62 -38.58 13.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 63' ' ' SER . 6.1 t0 81.99 25.64 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -153.13 170.19 21.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.274 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.519 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 8.8 tt -106.85 134.87 19.66 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.3 Cg_endo -74.96 159.62 97.74 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.008 -0.012 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 147.69 34.43 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.539 1.81 . . . . 0.0 111.037 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 48.0 mtt85 -151.61 141.86 22.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.454 ' CE2' ' HG ' ' A' ' 51' ' ' LEU . 37.9 m95 -86.5 119.29 26.6 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.562 ' CD1' ' HA3' ' A' ' 30' ' ' GLY . 5.5 m-30 -109.93 -170.13 1.59 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' THR . 9.9 tmm? -118.77 92.42 3.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.54 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 0.5 OUTLIER 37.45 90.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 110.396 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.4 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.424 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.7 t 178.51 -88.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.994 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.482 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 0.2 OUTLIER -112.39 -37.63 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.465 ' CB ' HD12 ' A' ' 54' ' ' LEU . . . -48.74 -43.91 38.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.107 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -39.04 88.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.3 mt -74.46 -39.17 47.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.423 1.077 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.482 ' CG2' ' O ' ' A' ' 15' ' ' ASN . 3.9 t -64.6 -34.53 70.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 24' ' ' LYS . 46.8 t -72.17 -42.95 65.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 108.297 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -59.79 -36.12 76.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.98 -65.45 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.444 ' CG2' ' HA ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -47.49 -31.9 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 20' ' ' CYS . 9.0 tttp -70.28 -52.33 23.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.1 m -54.35 -28.56 43.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 110.368 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 21.1 mm -61.24 -98.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 148.64 -75.99 0.26 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.57 1.169 . . . . 0.0 111.039 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.495 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -116.89 -26.24 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 109.343 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -66.55 -8.49 27.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.498 ' HA3' ' CE1' ' A' ' 71' ' ' PHE . . . 36.42 -155.25 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.449 1.093 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.17 94.83 4.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 0.752 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.496 ' CG2' ' N ' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -80.79 174.55 11.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 110.408 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.496 ' N ' ' CG2' ' A' ' 32' ' ' THR . . . -55.2 -67.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 35' ' ' GLN . . . -37.93 -56.16 1.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 34' ' ' ALA . 2.6 mt-30 -35.7 -75.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.516 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 9.5 mp -47.61 -48.59 28.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.414 1.071 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.462 ' CG2' ' HA ' ' A' ' 42' ' ' MET . 37.4 m -51.82 -20.59 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.397 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 35' ' ' GLN . 1.3 ttp-105 -94.79 -33.51 12.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.1 -30.09 70.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.516 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -110.36 -64.63 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 42' ' ' MET . 0.3 OUTLIER 164.97 -56.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.462 ' HA ' ' CG2' ' A' ' 37' ' ' THR . 0.0 OUTLIER 173.04 37.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 111.013 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -79.88 52.36 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.47 ' HA ' ' CG1' ' A' ' 47' ' ' VAL . 39.3 ttmt -49.21 -24.6 1.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -52.5 57.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -77.48 -33.79 54.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.515 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -69.93 -26.65 30.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.559 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 34.8 m-20 -77.75 -57.67 3.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -30.62 63.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.47 -58.55 3.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.571 ' CD1' ' CE2' ' A' ' 70' ' ' TRP . 0.8 OUTLIER -48.96 -43.94 40.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.559 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 16.0 m-85 -60.89 -67.45 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.957 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -42.02 -52.61 4.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.465 HD12 ' CB ' ' A' ' 16' ' ' ALA . 13.5 mt -58.96 -39.61 82.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' TYR . 41.5 tt0 -54.6 -49.59 70.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.288 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -73.68 -19.68 60.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.405 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 68.1 m -79.48 -28.63 41.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.074 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 57' ' ' SER . . . 77.19 12.92 2.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.419 ' CE ' ' O ' ' A' ' 59' ' ' MET . 5.6 tpt -70.6 -18.86 62.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 110.998 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 28.2 m -132.11 169.29 22.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.234 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.524 ' CG ' ' HA ' ' A' ' 73' ' ' THR . 0.7 OUTLIER -127.65 -169.36 2.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.67 156.01 45.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.984 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.7 t -88.65 -11.11 46.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.976 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 51.03 43.31 29.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -164.1 152.25 12.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.497 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 3.5 mt -84.34 136.4 40.36 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.3 Cg_endo -74.96 155.28 99.98 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.031 -2.487 . . . . 0.0 111.005 -0.002 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 114.42 4.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.537 ' HD2' ' CZ ' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -128.22 154.11 46.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.571 ' CE2' ' CD1' ' A' ' 51' ' ' LEU . 42.5 m95 -97.3 129.29 44.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.019 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.537 ' CZ ' ' HD2' ' A' ' 69' ' ' ARG . 7.9 m-30 -112.88 -170.98 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 111.068 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.444 ' O ' ' C ' ' A' ' 73' ' ' THR . 3.5 ttp -116.96 95.85 5.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.524 ' HA ' ' CG ' ' A' ' 61' ' ' TYR . 8.4 t 35.23 55.89 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 110.388 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.1 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.1 m -172.04 -99.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.041 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.449 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 0.2 OUTLIER -114.72 -37.15 4.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.97 -38.6 23.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -39.86 92.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.252 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.8 mt -73.96 -37.32 47.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.449 ' CG2' ' O ' ' A' ' 15' ' ' ASN . 7.1 t -62.46 -41.4 91.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.456 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 3.2 t -70.12 -39.85 75.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 108.328 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -30.02 70.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.34 -61.45 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.468 ' HA ' ' CD1' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -52.82 -26.98 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 20' ' ' CYS . 0.1 OUTLIER -78.75 -48.65 14.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.5 m -58.63 -35.29 72.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.378 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.468 ' CD1' ' HA ' ' A' ' 23' ' ' ILE . 23.4 mt -58.78 -99.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.407 ' N ' HG21 ' A' ' 26' ' ' ILE . . . 136.27 -68.42 0.53 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.101 . . . . 0.0 111.014 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.576 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -115.18 -33.25 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 0.784 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 30' ' ' GLY . 0.8 OUTLIER -65.14 -9.3 21.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.34 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.502 ' HA3' ' CE1' ' A' ' 71' ' ' PHE . . . 36.75 -156.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.415 ' CB ' HD12 ' A' ' 36' ' ' LEU . . . -137.4 95.59 3.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.406 HG23 ' N ' ' A' ' 33' ' ' ALA . 1.3 t -80.06 179.36 7.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.349 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . -58.02 -74.16 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -38.98 -49.25 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -37.5 -78.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.52 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 9.4 mp -46.91 -49.47 20.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.469 ' CG2' ' HA ' ' A' ' 42' ' ' MET . 82.0 m -48.88 -22.42 0.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.4 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.26 -38.97 11.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -60.36 -29.45 68.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.52 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -110.65 -70.82 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 172.85 -54.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.469 ' HA ' ' CG2' ' A' ' 37' ' ' THR . 0.0 OUTLIER 173.46 37.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.432 ' C ' ' N ' ' A' ' 45' ' ' ARG . 7.4 mt-10 -93.05 55.37 2.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.32 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.496 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 0.5 OUTLIER -52.93 -16.02 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.432 ' N ' ' C ' ' A' ' 43' ' ' GLU . 1.3 mpt_? -66.56 -45.41 79.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -76.23 -32.63 59.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.097 . . . . 0.0 110.339 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.496 ' CG2' ' HA ' ' A' ' 44' ' ' LYS . 0.9 OUTLIER -77.94 -26.32 14.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 44' ' ' LYS . 12.7 t30 -74.71 -49.73 20.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.42 -33.36 74.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.86 -37.83 64.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.55 HD22 ' CE3' ' A' ' 70' ' ' TRP . 41.7 mt -73.74 -33.95 64.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.083 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -66.85 -44.53 80.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.64 -39.51 77.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.0 mt -69.59 -27.48 65.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.362 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -81.71 -30.26 32.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.428 ' N ' ' HD2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -81.67 -24.52 36.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.584 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 2.0 p -84.69 -34.23 23.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.584 ' CB ' ' O ' ' A' ' 57' ' ' SER . . . 89.82 20.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -74.63 -29.87 61.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.6 m -121.58 -156.82 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -174.1 -173.86 0.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 111.046 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.6 t -117.69 168.22 10.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 109.998 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 10.7 t -85.7 -30.67 22.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.962 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 63' ' ' SER . 3.6 t0 81.6 28.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -155.12 171.55 19.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.497 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -105.33 136.2 19.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.4 Cg_endo -74.97 166.54 82.96 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 121.008 -2.497 . . . . 0.0 111.026 -0.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.403 ' O ' ' OG1' ' A' ' 32' ' ' THR . 18.3 Cg_endo -75.02 115.0 4.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 111.045 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.4 128.6 54.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.282 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.55 ' CE3' HD22 ' A' ' 51' ' ' LEU . 74.0 m95 -75.85 119.75 20.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 107.984 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.576 ' CZ ' ' O ' ' A' ' 28' ' ' ILE . 4.4 m-30 -114.06 -173.62 2.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.15 . . . . 0.0 111.038 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 39.3 ttp -110.82 72.83 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.3 t 38.91 73.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.5 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.356 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.457 ' N ' ' OE2' ' A' ' 17' ' ' GLU . 39.5 t 179.96 -59.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 110.024 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 18' ' ' ILE . 0.4 OUTLIER -111.73 -54.2 2.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.58 -32.45 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.457 ' OE2' ' N ' ' A' ' 14' ' ' SER . 13.1 pt-20 -70.27 -46.57 64.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.352 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 15' ' ' ASN . 30.4 mt -73.36 -32.54 37.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.6 t -65.78 -41.23 89.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.2 m -69.39 -43.72 72.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 108.276 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -64.67 -27.17 68.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.16 -61.14 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.412 HG22 ' N ' ' A' ' 24' ' ' LYS . 10.9 tt -51.25 -30.66 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.412 ' N ' HG22 ' A' ' 23' ' ' ILE . 6.3 mttt -73.41 -53.3 11.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 m -51.27 -30.32 17.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 110.387 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.46 HG22 ' CB ' ' A' ' 29' ' ' GLU . 23.8 mt -71.65 -100.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.415 ' N ' HG21 ' A' ' 26' ' ' ILE . . . 131.91 -67.04 0.57 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.533 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -115.9 -29.59 2.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 0.786 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.46 ' CB ' HG22 ' A' ' 26' ' ' ILE . 1.2 tp10 -65.4 -9.09 22.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.491 ' HA3' ' CE1' ' A' ' 71' ' ' PHE . . . 36.8 -155.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.65 95.18 3.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.788 . . . . 0.0 109.328 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.467 ' CB ' ' HB3' ' A' ' 69' ' ' ARG . 1.2 t -78.84 178.91 7.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.412 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . -67.3 -68.53 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -37.82 -58.48 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' ALA . 1.6 mt-30 -36.54 -71.56 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.534 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 8.5 mp -49.34 -45.55 45.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.444 ' CG2' ' HA ' ' A' ' 42' ' ' MET . 82.7 m -57.12 -17.75 12.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.369 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -95.97 -31.76 12.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 110.283 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -66.57 -28.89 68.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 110.286 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.534 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -110.65 -73.93 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.447 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.2 OUTLIER 173.41 -43.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.447 ' CB ' ' O ' ' A' ' 41' ' ' ASN . 2.4 mtm 164.33 41.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.475 ' CB ' HD11 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -98.26 59.38 1.35 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.352 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.4 OUTLIER -65.96 -16.3 63.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.09 . . . . 0.0 109.27 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -56.2 19.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.401 ' CD ' ' C ' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -72.37 -38.04 68.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.467 HG23 ' CD2' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -68.05 -24.82 30.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.532 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 9.2 m-20 -74.47 -58.1 3.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -57.14 -30.87 64.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.347 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.95 -53.41 10.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.577 ' HB3' ' CH2' ' A' ' 70' ' ' TRP . 3.0 mp -53.45 -47.05 70.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.532 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 23.3 m-85 -58.46 -64.93 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.35 -46.42 9.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.0 mt -61.78 -38.93 89.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' TYR . 1.3 tm0? -58.31 -44.54 88.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.319 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.01 -18.94 55.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.533 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 29.9 t -79.44 -28.53 41.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 57' ' ' SER . . . 86.14 28.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.65 -18.66 21.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 111.009 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 61' ' ' TYR . 2.8 m -141.96 -165.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.423 ' N ' HG23 ' A' ' 60' ' ' VAL . 8.4 t80 -168.53 -177.57 3.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.8 t -121.41 146.9 46.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.01 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.84 -34.28 22.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.998 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 61.92 18.33 9.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -138.38 149.94 46.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.511 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 2.3 tt -81.4 134.2 51.98 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.3 Cg_endo -74.97 143.68 78.58 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 120.977 -2.51 . . . . 0.0 111.049 -0.033 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 147.51 33.95 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.566 ' HG3' ' CE1' ' A' ' 71' ' ' PHE . 8.7 ptp180 176.72 173.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.577 ' CH2' ' HB3' ' A' ' 51' ' ' LEU . 22.4 m95 -94.88 127.43 40.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 108.023 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.566 ' CE1' ' HG3' ' A' ' 69' ' ' ARG . 4.4 m-30 -115.17 -176.11 2.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.501 ' CG ' ' O ' ' A' ' 72' ' ' MET . 3.3 ptp -101.63 71.19 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 72' ' ' MET . 1.0 OUTLIER 36.29 88.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.392 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.5 p . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.417 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.8 t -173.06 -85.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.938 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.54 -40.9 3.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.63 -40.25 12.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.73 -44.12 97.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.4 mm -73.85 -41.42 53.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 39.4 t -59.49 -36.65 65.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.75 -63.21 1.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 108.302 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -45.59 -29.31 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.07 -54.56 9.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.466 HD13 ' CA ' ' A' ' 71' ' ' PHE . 6.0 tt -53.87 -26.69 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.438 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.6 OUTLIER -75.81 -49.57 17.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.24 -31.17 63.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.368 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.5 mt -65.31 -100.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.82 -72.08 0.42 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 110.959 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.524 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -117.08 -29.56 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.771 . . . . 0.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 30' ' ' GLY . 0.4 OUTLIER -64.7 -9.77 22.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.233 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.535 ' HA3' ' CD1' ' A' ' 71' ' ' PHE . . . 36.16 -154.69 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -139.49 97.71 3.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 0.771 . . . . 0.0 109.293 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.416 HG23 ' N ' ' A' ' 33' ' ' ALA . 15.2 t -82.88 -152.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.431 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.416 ' N ' HG23 ' A' ' 32' ' ' THR . . . -72.39 -73.48 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 35' ' ' GLN . . . -39.78 -48.88 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 34' ' ' ALA . 3.6 mm100 -38.39 -81.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.516 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 9.4 mp -46.03 -50.48 15.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.445 ' CG2' ' HA ' ' A' ' 42' ' ' MET . 25.9 m -47.86 -22.91 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.409 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.87 -45.88 8.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -52.38 -29.34 23.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 110.267 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.516 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -110.18 -73.88 0.67 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.422 ' O ' ' HB3' ' A' ' 42' ' ' MET . 0.3 OUTLIER 176.18 -50.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.445 ' HA ' ' CG2' ' A' ' 37' ' ' THR . 0.0 OUTLIER 167.28 39.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.472 ' HB3' ' CG ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER -91.68 55.4 2.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 19.2 tttt -45.95 -23.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.408 ' N ' ' C ' ' A' ' 43' ' ' GLU . 0.4 OUTLIER -68.5 -42.55 78.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.269 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.472 ' CG ' ' HB3' ' A' ' 43' ' ' GLU . 0.6 OUTLIER -77.42 -37.62 51.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.476 ' CG2' ' HA ' ' A' ' 44' ' ' LYS . 1.0 OUTLIER -73.95 -26.59 21.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 9.0 t30 -75.18 -51.77 12.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.66 -32.11 73.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.63 -43.08 49.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.529 ' HB3' ' CZ2' ' A' ' 70' ' ' TRP . 29.9 mt -66.93 -34.9 78.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.508 ' CD2' ' N ' ' A' ' 53' ' ' ASP . 1.7 t80 -66.68 -58.39 5.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.508 ' N ' ' CD2' ' A' ' 52' ' ' TYR . 2.7 t0 -51.11 -51.56 52.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.4 mt -55.35 -40.94 71.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.57 -49.74 76.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -70.44 -17.74 63.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 25.1 t -86.33 -34.26 20.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 57' ' ' SER . . . 84.08 18.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.402 ' CG ' ' OG ' ' A' ' 57' ' ' SER . 0.0 OUTLIER -78.97 -24.86 43.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.989 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 33.2 m -120.08 -171.84 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.561 ' CZ ' ' C ' ' A' ' 74' ' ' THR . 15.9 t80 -135.14 168.87 18.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.37 138.68 47.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.17 -24.47 54.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.02 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 64.19 41.19 6.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -158.46 169.62 24.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.341 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.493 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 4.6 tp -103.36 132.64 20.9 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.2 Cg_endo -75.03 172.8 61.22 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.961 -2.516 . . . . 0.0 110.989 0.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 107.54 2.51 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.775 . . . . 0.0 110.979 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 -108.18 120.11 41.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.529 ' CZ2' ' HB3' ' A' ' 51' ' ' LEU . 61.3 m95 -92.61 124.96 37.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 107.969 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.535 ' CD1' ' HA3' ' A' ' 30' ' ' GLY . 4.0 m-30 -115.58 -167.77 1.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.499 ' O ' ' C ' ' A' ' 73' ' ' THR . 0.0 OUTLIER -117.23 101.59 8.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.499 ' C ' ' O ' ' A' ' 72' ' ' MET . 13.1 t 30.09 90.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.561 ' C ' ' CZ ' ' A' ' 61' ' ' TYR . 2.7 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.381 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.413 ' C ' ' CD ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.446 ' N ' ' OE2' ' A' ' 17' ' ' GLU . 13.3 t -179.43 -73.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.013 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.468 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.3 OUTLIER -119.01 -47.79 2.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.72 -40.23 9.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.446 ' OE2' ' N ' ' A' ' 14' ' ' SER . 14.9 pt-20 -61.69 -44.06 97.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.346 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.422 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 19.8 mm -74.77 -31.78 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.461 ' O ' ' CG2' ' A' ' 23' ' ' ILE . 14.9 t -69.3 -31.91 51.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.469 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 0.1 OUTLIER -82.14 -39.57 23.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 108.287 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -66.22 -34.68 78.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.45 -60.56 2.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.469 ' CG2' ' HA ' ' A' ' 20' ' ' CYS . 11.5 tt -48.59 -38.62 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -66.07 -60.19 3.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -46.93 -28.98 1.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 110.419 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.419 HG21 ' N ' ' A' ' 30' ' ' GLY . 1.8 mm -67.31 -100.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.01 -66.96 0.56 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.115 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.409 HG13 ' N ' ' A' ' 29' ' ' GLU . 0.6 OUTLIER -116.77 -32.8 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.505 0.768 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 30' ' ' GLY . 0.2 OUTLIER -62.16 -12.19 18.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.347 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.419 ' N ' HG21 ' A' ' 26' ' ' ILE . . . 35.46 -153.17 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.474 ' CB ' HD12 ' A' ' 36' ' ' LEU . . . -118.75 82.52 1.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 0.738 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.34 149.79 25.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 110.394 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 36' ' ' LEU . . . -40.8 -63.84 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -38.68 -52.56 1.67 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.127 . . . . 0.0 109.352 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -43.0 99.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.515 ' O ' ' CG ' ' A' ' 40' ' ' LEU . 2.2 mp -66.75 -10.68 49.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.0 m -104.4 -21.59 13.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.396 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.41 -53.21 4.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.284 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.04 -28.08 3.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.515 ' CG ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -114.87 -95.68 0.46 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.496 ' O ' ' HB2' ' A' ' 42' ' ' MET . 0.3 OUTLIER -157.86 -56.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.553 ' O ' ' CG ' ' A' ' 42' ' ' MET . 0.0 OUTLIER 172.35 40.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.484 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -79.47 48.6 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.544 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 17.4 tttt -51.08 -29.04 11.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -70.91 -44.44 66.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.402 ' HG3' ' HB3' ' A' ' 43' ' ' GLU . 0.9 OUTLIER -76.47 -40.93 48.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.502 ' CG2' ' HA ' ' A' ' 44' ' ' LYS . 1.2 m -70.27 -26.34 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.544 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 4.3 t-20 -73.55 -59.55 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.242 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.51 -32.98 65.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.07 -49.61 35.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.585 ' HB3' ' CZ2' ' A' ' 70' ' ' TRP . 6.2 mp -59.93 -31.34 69.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.541 ' CD2' ' N ' ' A' ' 53' ' ' ASP . 2.9 t80 -67.6 -64.99 0.75 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.035 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.541 ' N ' ' CD2' ' A' ' 52' ' ' TYR . 2.6 t0 -46.24 -45.31 17.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 54.4 mt -64.28 -37.61 88.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.571 1.169 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -59.23 -38.91 81.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -86.4 -16.9 35.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.487 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 49.2 m -83.57 -31.22 26.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.024 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 57' ' ' SER . . . 84.38 24.41 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.2 mmt -86.22 -17.69 34.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.3 m -141.04 158.33 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.54 ' CG ' ' HA ' ' A' ' 73' ' ' THR . 1.8 m-85 -125.37 -167.28 1.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.71 151.8 47.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.056 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.506 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -71.32 -34.39 70.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.039 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.506 ' CB ' ' O ' ' A' ' 63' ' ' SER . 6.3 t0 82.3 21.85 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.16 166.77 27.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.512 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 1.1 mp -96.08 139.53 21.83 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.4 Cg_endo -75.0 173.44 57.9 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.038 -0.024 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 116.99 4.76 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.513 1.796 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.8 mtp85 -128.85 142.3 51.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.585 ' CZ2' ' HB3' ' A' ' 51' ' ' LEU . 25.1 m95 -91.9 120.79 32.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 108.035 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.415 ' CE1' ' HA3' ' A' ' 30' ' ' GLY . 4.3 m-30 -109.3 -169.11 1.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.58 ' O ' ' CG2' ' A' ' 73' ' ' THR . 0.0 OUTLIER -113.2 97.84 6.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.58 ' CG2' ' O ' ' A' ' 72' ' ' MET . 9.2 t 56.11 156.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.352 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.496 ' N ' ' CD2' ' A' ' 61' ' ' TYR . 15.0 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.383 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.833 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.49 -42.42 98.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.55 -40.0 92.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.0 mt -75.95 -32.76 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.241 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 15' ' ' ASN . 42.7 t -68.45 -36.54 75.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.438 ' HA ' HG22 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -75.42 -38.63 59.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 108.271 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.98 -29.65 68.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.45 -58.35 3.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.643 HD11 ' HG2' ' A' ' 72' ' ' MET . 0.0 OUTLIER -48.06 -46.63 12.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.35 -53.63 49.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -50.85 -25.25 4.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.647 HG21 ' HB3' ' A' ' 29' ' ' GLU . 85.6 mt -87.21 -100.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.557 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 155.57 -78.95 0.19 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.443 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.7 OUTLIER -113.09 -19.68 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.647 ' HB3' HG21 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -65.85 -9.26 27.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 29' ' ' GLU . . . 35.94 -155.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.501 1.126 . . . . 0.0 111.046 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.719 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -120.04 90.01 3.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.4 t -79.77 -172.48 3.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . -64.57 -73.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -38.66 -46.82 1.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -39.94 -81.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.719 HD11 ' HB1' ' A' ' 31' ' ' ALA . 9.8 mp -46.36 -51.15 15.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.752 HG23 ' HA ' ' A' ' 42' ' ' MET . 24.7 m -46.57 -23.55 0.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.147 . . . . 0.0 110.396 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.66 -40.34 10.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.35 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -58.04 -29.25 65.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.278 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.69 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -108.47 -75.29 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.466 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.3 OUTLIER 176.23 -47.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.752 ' HA ' HG23 ' A' ' 37' ' ' THR . 2.8 mtt 163.11 41.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.69 ' H ' HD12 ' A' ' 40' ' ' LEU . 3.3 mt-10 -90.01 55.52 3.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.339 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.547 ' HA ' HG12 ' A' ' 47' ' ' VAL . 23.7 mttt -54.17 -21.48 8.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -55.13 37.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.61 -36.31 44.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.726 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -64.45 -25.65 38.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.423 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 47.4 m-20 -82.05 -54.32 5.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -58.23 -32.98 68.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.12 -50.8 17.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.726 HD13 ' O ' ' A' ' 47' ' ' VAL . 5.8 mp -56.34 -35.22 67.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.262 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.42 ' CD2' ' N ' ' A' ' 53' ' ' ASP . 1.8 t80 -67.43 -54.43 20.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.42 ' N ' ' CD2' ' A' ' 52' ' ' TYR . 0.6 OUTLIER -55.94 -47.27 77.88 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.127 . . . . 0.0 109.256 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 54' ' ' LEU . 13.7 mt -64.71 -30.81 71.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -68.03 -34.87 77.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 110.255 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -87.32 -17.86 31.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.158 . . . . 0.0 110.345 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.715 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 20.0 p -79.07 -33.54 44.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.023 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 86.1 16.54 0.12 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.527 ' CG ' ' OG ' ' A' ' 57' ' ' SER . 4.9 mmt -78.4 -31.52 48.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.418 HG23 ' HE3' ' A' ' 70' ' ' TRP . 5.0 m -126.38 158.98 36.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.102 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.511 ' CD2' ' N ' ' A' ' 74' ' ' THR . 1.6 m-85 -124.75 -166.36 1.51 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.07 165.33 20.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.99 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.563 ' OG ' ' CZ ' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -79.16 -30.54 43.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.008 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 63' ' ' SER . 3.4 t0 80.36 29.71 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -166.22 162.39 17.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.751 HG23 ' HA ' ' A' ' 67' ' ' PRO . 12.4 mt -91.12 140.34 25.86 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.751 ' HA ' HG23 ' A' ' 66' ' ' ILE . 18.7 Cg_endo -74.96 170.4 71.91 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 121.018 -2.492 . . . . 0.0 111.006 -0.074 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 118.84 5.42 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.456 1.767 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.3 mtm-85 -127.05 131.14 51.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.284 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.636 ' NE1' HD23 ' A' ' 51' ' ' LEU . 76.5 m95 -82.63 120.78 25.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 107.981 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.563 ' CZ ' ' OG ' ' A' ' 63' ' ' SER . 7.2 m-30 -113.54 -169.68 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.912 ' O ' HG22 ' A' ' 73' ' ' THR . 0.3 OUTLIER -114.44 97.8 6.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.912 HG22 ' O ' ' A' ' 72' ' ' MET . 9.2 t 55.89 157.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.393 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.662 HG22 ' O ' ' A' ' 73' ' ' THR . 14.9 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.397 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.675 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.512 ' HB1' HD21 ' A' ' 54' ' ' LEU . . . -41.65 -40.71 2.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 18' ' ' ILE . 12.9 pt-20 -63.06 -45.97 89.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 15' ' ' ASN . 23.5 mt -72.41 -54.85 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 15' ' ' ASN . 18.8 t -44.62 -40.79 2.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.54 ' HA ' HG22 ' A' ' 23' ' ' ILE . 2.6 m -67.45 -65.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 108.3 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' CYS . 4.3 tt0 -39.05 -29.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 110.299 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 20' ' ' CYS . . . -75.31 -67.29 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.597 ' O ' HD13 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -51.31 -21.8 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -75.93 -51.18 13.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.332 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 m -56.58 -33.23 65.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.674 HG21 ' N ' ' A' ' 30' ' ' GLY . 42.6 mm -55.76 -100.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.508 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 137.25 -69.34 0.51 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.517 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -117.24 -31.82 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.76 . . . . 0.0 109.329 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.478 ' HB3' HG23 ' A' ' 26' ' ' ILE . 0.9 OUTLIER -65.61 -8.72 21.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.674 ' N ' HG21 ' A' ' 26' ' ' ILE . . . 36.56 -155.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.724 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -133.43 94.89 3.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 0.735 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.545 HG22 ' HG3' ' A' ' 35' ' ' GLN . 14.7 t -80.08 -157.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.358 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.431 ' N ' HG23 ' A' ' 32' ' ' THR . . . -79.18 -71.18 0.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -38.89 -50.05 1.7 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.551 ' NE2' ' O ' ' A' ' 30' ' ' GLY . 6.0 mt-30 -38.44 -78.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.724 HD11 ' HB1' ' A' ' 31' ' ' ALA . 9.6 mp -47.0 -49.2 21.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.899 HG23 ' HA ' ' A' ' 42' ' ' MET . 22.3 m -51.4 -20.05 1.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 110.405 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 35' ' ' GLN . 1.0 OUTLIER -94.1 -36.52 12.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -29.62 70.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.67 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -110.36 -66.12 1.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.431 ' O ' ' HB2' ' A' ' 42' ' ' MET . 0.3 OUTLIER 167.39 -57.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.899 ' HA ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER 175.94 36.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 111.016 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.67 ' H ' HD12 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -82.07 51.52 1.78 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.689 ' HA ' HG12 ' A' ' 47' ' ' VAL . 0.8 OUTLIER -51.79 -22.98 4.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.77 -50.82 65.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.436 ' CG ' ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -78.79 -35.18 44.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.689 HG12 ' HA ' ' A' ' 44' ' ' LYS . 0.4 OUTLIER -69.79 -24.88 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 14.1 t30 -81.11 -54.44 5.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.2 tttm -59.06 -33.25 70.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.73 -50.56 23.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.667 HD23 ' NE1' ' A' ' 70' ' ' TRP . 5.0 mp -57.22 -34.19 68.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.41 ' CD2' ' N ' ' A' ' 53' ' ' ASP . 1.8 t80 -67.49 -53.74 26.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.41 ' N ' ' CD2' ' A' ' 52' ' ' TYR . 1.3 t0 -56.97 -50.78 71.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.525 HD22 ' HB2' ' A' ' 59' ' ' MET . 31.4 mt -56.66 -38.88 72.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -60.32 -46.31 90.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -74.78 -16.54 60.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 110.303 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.69 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 19.2 m -85.46 -34.16 21.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.025 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 84.54 21.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.525 ' HB2' HD22 ' A' ' 54' ' ' LEU . 1.0 OUTLIER -80.02 -14.64 58.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 110.947 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.4 m -145.51 164.59 11.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.503 ' CG ' ' HA ' ' A' ' 73' ' ' THR . 1.9 m-85 -125.7 -167.12 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.964 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.0 t -127.03 158.62 36.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.148 . . . . 0.0 109.946 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.465 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 5.2 t -73.55 -33.64 64.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 63' ' ' SER . 1.1 t70 79.52 38.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -169.21 167.67 10.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.522 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 1.3 mp -99.48 137.21 20.26 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.1 Cg_endo -75.01 171.0 70.32 Favored 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.99 -2.504 . . . . 0.0 110.991 -0.064 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 131.92 14.88 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.793 . . . . 0.0 111.048 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.426 ' NH1' ' HG2' ' A' ' 67' ' ' PRO . 8.8 mtm-85 -138.53 138.87 38.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.667 ' NE1' HD23 ' A' ' 51' ' ' LEU . 61.9 m95 -89.63 120.68 31.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 108.0 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.517 ' CZ ' ' O ' ' A' ' 28' ' ' ILE . 4.3 m-30 -114.05 -169.44 1.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.43 ' C ' HG22 ' A' ' 73' ' ' THR . 2.1 ttp -115.59 101.19 8.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 111.025 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.503 ' HA ' ' CG ' ' A' ' 61' ' ' TYR . 1.6 t 40.51 72.14 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.369 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.7 t . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 110.388 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.403 ' HB2' HD21 ' A' ' 54' ' ' LEU . . . -40.99 -33.29 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.422 ' CG ' ' N ' ' A' ' 18' ' ' ILE . 13.5 pt-20 -67.28 -49.89 62.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.458 HD13 ' HA ' ' A' ' 18' ' ' ILE . 14.5 mm -72.05 -42.44 67.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.476 ' O ' HG22 ' A' ' 23' ' ' ILE . 88.9 t -56.03 -43.85 76.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.595 ' HA ' HG22 ' A' ' 23' ' ' ILE . 22.7 t -68.58 -48.97 62.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 108.282 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -26.66 21.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.43 ' C ' ' N ' ' A' ' 24' ' ' LYS . . . -84.9 -69.03 0.68 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.821 ' O ' HD13 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -44.13 -27.55 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.43 ' N ' ' C ' ' A' ' 22' ' ' ALA . 0.9 OUTLIER -82.09 -55.8 4.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 m -51.12 -26.2 6.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.423 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.666 HD13 ' O ' ' A' ' 30' ' ' GLY . 72.2 mt -73.04 -100.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.523 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 148.76 -75.04 0.27 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.493 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.7 OUTLIER -112.91 -25.76 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 0.758 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.508 ' CB ' ' CG2' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -65.8 -9.32 27.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.265 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.666 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 36.24 -155.15 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.485 1.115 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.528 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -130.41 94.76 3.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 109.347 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.443 ' CB ' ' HG3' ' A' ' 69' ' ' ARG . 1.3 t -79.39 -179.18 6.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.395 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . -61.01 -67.07 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 35' ' ' GLN . . . -39.84 -50.38 2.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 34' ' ' ALA . 0.2 OUTLIER -37.17 -82.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.528 HD11 ' HB1' ' A' ' 31' ' ' ALA . 8.9 mp -44.78 -51.87 8.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.577 HG23 ' HA ' ' A' ' 42' ' ' MET . 5.3 m -44.41 -26.48 0.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.406 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.401 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -89.61 -45.84 9.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -51.83 -29.1 18.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.335 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.72 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -109.76 -78.21 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.466 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.2 OUTLIER 178.9 -47.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.577 ' HA ' HG23 ' A' ' 37' ' ' THR . 2.3 mtm 162.71 41.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.72 ' H ' HD12 ' A' ' 40' ' ' LEU . 2.3 mm-40 -83.26 52.94 2.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.683 ' HA ' HG12 ' A' ' 47' ' ' VAL . 5.9 tttp -45.06 -27.23 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.412 ' N ' ' C ' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -65.96 -49.03 69.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 110.305 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.495 ' OE1' ' CB ' ' A' ' 43' ' ' GLU . 4.3 pt-20 -77.31 -37.18 53.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.683 HG12 ' HA ' ' A' ' 44' ' ' LYS . 0.3 OUTLIER -68.1 -28.59 41.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.531 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 9.7 m-20 -75.27 -59.86 2.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -55.81 -29.56 59.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.03 -58.2 3.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.82 HD12 ' CE2' ' A' ' 70' ' ' TRP . 0.6 OUTLIER -49.69 -42.97 46.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.531 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 17.9 m-85 -62.2 -67.95 0.37 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -41.72 -50.19 4.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.403 HD21 ' HB2' ' A' ' 16' ' ' ALA . 15.2 mt -60.28 -41.77 94.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 52' ' ' TYR . 2.7 tp-100 -58.31 -49.82 75.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.256 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -70.75 -18.89 62.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.695 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 8.5 m -84.72 -32.7 23.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.973 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.695 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 84.98 21.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.73 -18.73 58.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.4 m -144.33 166.21 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.509 ' CG ' ' HA ' ' A' ' 73' ' ' THR . 1.9 m-85 -126.46 -169.24 1.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.6 141.45 49.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.507 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 1.0 OUTLIER -52.12 -39.8 60.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.004 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 63' ' ' SER . 1.5 t70 82.44 20.84 0.26 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.08 161.65 41.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.242 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.556 ' CG1' ' HA ' ' A' ' 67' ' ' PRO . 5.8 tt -92.95 135.92 25.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.556 ' HA ' ' CG1' ' A' ' 66' ' ' ILE . 18.2 Cg_endo -75.06 157.77 99.34 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.006 -2.497 . . . . 0.0 110.982 0.025 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 138.87 23.61 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 110.983 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.443 ' HG3' ' CB ' ' A' ' 32' ' ' THR . 1.3 mpt_? -148.75 141.23 24.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.82 ' CE2' HD12 ' A' ' 51' ' ' LEU . 86.5 m95 -82.74 117.85 22.95 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.501 ' CE1' ' HA3' ' A' ' 30' ' ' GLY . 6.4 m-30 -111.43 -170.12 1.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.526 ' CG ' ' O ' ' A' ' 72' ' ' MET . 1.8 ptt? -114.96 101.52 9.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.664 HG23 ' O ' ' A' ' 73' ' ' THR . 9.2 t 32.35 85.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.379 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.2 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.378 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.955 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.93 -38.49 3.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 18' ' ' ILE . 13.8 pt-20 -64.05 -46.39 84.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.42 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 2.9 mm -71.52 -34.27 52.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.955 HG23 ' O ' ' A' ' 15' ' ' ASN . 8.7 t -66.65 -34.84 72.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.465 ' HA ' HG22 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -74.01 -40.79 62.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 108.276 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.42 -28.01 67.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.258 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.495 ' CB ' ' OE1' ' A' ' 39' ' ' GLN . . . -78.53 -60.9 2.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.787 HD11 ' C ' ' A' ' 71' ' ' PHE . 11.5 tt -46.89 -41.52 5.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.356 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -69.46 -50.98 40.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.71 -27.88 19.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.446 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.688 HD13 ' O ' ' A' ' 30' ' ' GLY . 67.6 mt -72.03 -101.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.623 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 151.56 -78.11 0.21 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.115 . . . . 0.0 110.969 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.518 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -116.31 -27.73 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -62.74 -11.87 20.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.688 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 33.97 -151.73 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.618 ' HB1' ' CD1' ' A' ' 36' ' ' LEU . . . -130.2 98.59 4.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 0.794 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.712 HG23 ' O ' ' A' ' 32' ' ' THR . 15.1 t -93.37 67.22 4.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.477 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . 64.12 -76.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.477 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -33.41 -53.54 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' ALA . 1.2 mm-40 -37.58 -71.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.618 ' CD1' ' HB1' ' A' ' 31' ' ' ALA . 9.7 mp -51.7 -45.69 63.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.821 HG23 ' HA ' ' A' ' 42' ' ' MET . 60.0 m -54.2 -19.21 4.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.39 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.6 mtt-85 -96.01 -33.95 11.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.143 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.495 ' OE1' ' CB ' ' A' ' 22' ' ' ALA . 0.6 OUTLIER -63.42 -29.09 70.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.765 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -109.83 -78.65 0.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.47 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.2 OUTLIER 179.77 -42.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.821 ' HA ' HG23 ' A' ' 37' ' ' THR . 3.9 mtt 162.97 41.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.941 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.765 ' H ' HD12 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -95.84 54.97 1.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.755 ' HA ' HG22 ' A' ' 47' ' ' VAL . 12.1 ttmt -49.21 -19.35 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.457 ' N ' ' C ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -67.97 -47.6 68.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 47' ' ' VAL . 0.2 OUTLIER -73.01 -36.37 66.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.24 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.755 HG22 ' HA ' ' A' ' 44' ' ' LYS . 1.0 OUTLIER -75.03 -25.86 18.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.549 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 21.6 m-20 -71.74 -56.73 5.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -62.68 -32.52 73.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.02 -42.23 66.6 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.564 ' HB3' ' CZ2' ' A' ' 70' ' ' TRP . 0.2 OUTLIER -64.8 -48.8 73.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.549 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 24.1 m-85 -55.86 -65.72 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -44.19 -54.52 5.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 54' ' ' LEU . 12.3 mt -56.94 -34.7 68.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -57.91 -49.19 77.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.337 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.72 -18.41 60.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.631 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 66.2 m -79.19 -29.28 42.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.965 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 79.36 10.32 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.9 tpt -70.64 -28.08 64.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 111.04 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.8 m -123.96 167.91 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.529 ' CD1' ' HA ' ' A' ' 73' ' ' THR . 1.8 m-85 -127.4 -170.33 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.6 t -137.46 168.37 19.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.03 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 t -80.23 -23.91 40.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.009 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 t0 73.99 22.1 2.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.23 168.62 25.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.649 HD12 ' HA ' ' A' ' 67' ' ' PRO . 1.2 tp -97.34 137.48 21.15 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.649 ' HA ' HD12 ' A' ' 66' ' ' ILE . 18.2 Cg_endo -75.02 172.22 64.13 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.019 -2.492 . . . . 0.0 110.959 0.042 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.596 ' HD3' HD12 ' A' ' 66' ' ' ILE . 18.2 Cg_endo -75.0 118.02 5.12 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.534 1.807 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -117.41 124.61 49.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.564 ' CZ2' ' HB3' ' A' ' 51' ' ' LEU . 66.3 m95 -82.86 118.29 23.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 108.037 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.787 ' C ' HD11 ' A' ' 23' ' ' ILE . 4.8 m-30 -114.85 -170.57 1.77 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.485 ' O ' HG22 ' A' ' 73' ' ' THR . 0.1 OUTLIER -119.17 99.95 7.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 111.055 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.529 ' HA ' ' CD1' ' A' ' 61' ' ' TYR . 4.6 t 45.36 54.43 7.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.392 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.479 HG22 ' HB3' ' A' ' 61' ' ' TYR . 15.2 t . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.409 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.78 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.44 -36.31 1.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -65.06 -47.46 77.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.455 ' HA ' HD13 ' A' ' 18' ' ' ILE . 16.8 mm -72.96 -27.62 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 15' ' ' ASN . 61.4 t -66.14 -45.25 90.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.581 ' HA ' HG22 ' A' ' 23' ' ' ILE . 14.0 p -73.1 -33.81 65.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 108.305 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -30.67 70.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.76 -61.11 2.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.872 ' HA ' HD12 ' A' ' 26' ' ' ILE . 8.5 tt -47.87 -39.82 8.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.69 -49.01 57.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.3 m -56.08 -27.72 54.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.384 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.982 HD13 ' O ' ' A' ' 30' ' ' GLY . 21.4 mt -72.72 -99.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.502 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 138.72 -69.43 0.49 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.444 1.09 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.52 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -115.48 -30.13 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 0.744 . . . . 0.0 109.325 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.427 ' C ' HG21 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -66.5 -8.47 26.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.982 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 36.6 -155.23 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -132.87 92.76 3.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 0.783 . . . . 0.0 109.248 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.606 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -80.0 174.29 11.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.394 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 36' ' ' LEU . . . -61.57 -62.03 2.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.1 -39.37 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -72.43 -41.67 65.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.719 ' O ' HD21 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -71.4 -6.85 43.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.251 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.884 HG23 ' HA ' ' A' ' 42' ' ' MET . 54.1 m -110.54 -21.94 11.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.07 -48.25 7.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -29.97 48.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.719 HD21 ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -107.73 -80.7 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.41 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.3 OUTLIER 179.62 -50.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.884 ' HA ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER 166.71 39.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.956 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.452 ' HB2' HD12 ' A' ' 40' ' ' LEU . 3.7 mp0 -88.18 53.94 2.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.538 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 20.8 tptt -56.4 -22.81 33.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -51.66 61.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -79.16 -34.55 43.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.538 HG13 HD12 ' A' ' 51' ' ' LEU . 1.0 OUTLIER -70.52 -23.63 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.538 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 5.3 t-20 -83.42 -48.08 10.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? -65.05 -33.3 75.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.8 -46.87 28.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.726 HD22 ' CD2' ' A' ' 70' ' ' TRP . 56.3 mt -65.19 -28.59 69.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.484 ' CE2' ' NH1' ' A' ' 56' ' ' ARG . 1.6 t80 -72.32 -50.52 26.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.409 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 0.9 OUTLIER -61.14 -40.2 92.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.1 mt -64.08 -43.58 95.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.49 -50.75 72.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.484 ' NH1' ' CE2' ' A' ' 52' ' ' TYR . 1.0 OUTLIER -71.55 -19.6 62.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.69 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 57.9 m -83.1 -31.75 27.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.028 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 84.56 18.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -78.24 -19.66 53.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.1 m -136.93 -157.58 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.409 ' CG ' ' N ' ' A' ' 62' ' ' SER . 5.7 t80 -174.33 -174.24 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.409 ' N ' ' CG ' ' A' ' 61' ' ' TYR . 0.1 OUTLIER -119.5 154.88 33.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.995 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.0 t -69.02 -16.08 63.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.1 t0 63.22 30.14 15.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -166.75 163.77 16.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.772 HG23 ' HA ' ' A' ' 67' ' ' PRO . 23.6 mt -89.55 141.13 28.44 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.772 ' HA ' HG23 ' A' ' 66' ' ' ILE . 18.4 Cg_endo -75.05 166.67 82.64 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 120.98 -2.508 . . . . 0.0 110.993 0.021 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 110.91 3.21 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.488 1.783 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.3 mtt180 -128.23 139.68 52.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.726 ' CD2' HD22 ' A' ' 51' ' ' LEU . 58.4 m95 -83.78 120.52 26.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 108.016 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.787 ' C ' HD11 ' A' ' 23' ' ' ILE . 4.3 m-30 -114.92 -173.52 2.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.495 ' O ' ' C ' ' A' ' 73' ' ' THR . 1.2 ptt? -109.18 76.0 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.683 HG23 ' O ' ' A' ' 73' ' ' THR . 12.0 t 30.27 68.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.373 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.4 t . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.396 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 1.022 ' O ' HG23 ' A' ' 19' ' ' VAL . 24.5 t30 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.52 -42.32 2.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.4 ' C ' ' OE1' ' A' ' 17' ' ' GLU . 0.6 OUTLIER -71.04 -39.21 72.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.487 ' N ' ' O ' ' A' ' 15' ' ' ASN . 17.4 mm -69.62 -32.13 51.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 1.022 HG23 ' O ' ' A' ' 15' ' ' ASN . 2.6 t -71.08 -40.18 75.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.253 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.495 ' HA ' HG22 ' A' ' 23' ' ' ILE . 15.3 t -70.43 -37.73 74.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 108.31 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -68.47 -31.91 71.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.5 -59.81 2.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.815 ' HA ' HD12 ' A' ' 26' ' ' ILE . 11.5 tt -45.76 -46.02 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.368 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -66.16 -48.05 72.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -55.55 -25.09 35.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 110.401 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.815 HD12 ' HA ' ' A' ' 23' ' ' ILE . 23.0 mt -77.18 -100.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.507 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 151.71 -76.32 0.23 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.504 1.128 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.513 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.7 OUTLIER -113.01 -22.52 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.754 . . . . 0.0 109.296 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.695 ' HB3' HG21 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -64.93 -10.0 25.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.539 ' HA3' ' CD1' ' A' ' 71' ' ' PHE . . . 36.06 -154.58 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.118 . . . . 0.0 110.955 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.636 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -136.89 96.56 3.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 0.794 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.949 ' O ' HD13 ' A' ' 36' ' ' LEU . 7.3 t -80.37 -162.56 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.441 ' N ' HG23 ' A' ' 32' ' ' THR . . . -81.89 -59.31 2.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -37.44 -59.02 0.8 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.52 -45.32 73.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.137 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.949 HD13 ' O ' ' A' ' 32' ' ' THR . 7.3 mp -66.65 -9.91 40.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.967 HG23 ' HA ' ' A' ' 42' ' ' MET . 80.7 m -104.73 -17.71 14.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.368 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -92.32 -52.52 4.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.454 1.096 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.71 -30.14 5.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.332 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.737 HD21 ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -108.82 -80.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.422 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.3 OUTLIER -179.06 -51.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.967 ' HA ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER 165.97 39.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.989 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.604 ' H ' HD12 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -94.82 55.5 1.88 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 110.319 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.541 ' HA ' HG12 ' A' ' 47' ' ' VAL . 82.7 tttt -58.65 -18.4 30.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.2 mtt-85 -62.25 -54.7 36.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.253 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -76.12 -37.43 58.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.26 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.718 HG22 HD23 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -67.52 -24.21 30.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 3.5 t-20 -79.16 -54.67 5.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -59.75 -30.02 68.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.59 -44.75 41.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.764 HD11 HD22 ' A' ' 36' ' ' LEU . 32.9 mt -62.56 -42.49 99.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.49 ' CD1' ' O ' ' A' ' 48' ' ' ASN . 3.0 m-85 -64.41 -43.89 92.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -63.1 -49.99 72.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.489 ' HB3' HG23 ' A' ' 60' ' ' VAL . 12.5 mt -58.7 -44.85 90.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.0 -53.62 47.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -19.96 65.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.7 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 32.0 t -81.43 -29.23 33.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.008 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.7 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 86.0 31.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -96.61 -15.55 21.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.555 HG12 ' O ' ' A' ' 71' ' ' PHE . 2.1 t -143.65 167.8 12.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.519 ' CG ' ' HA ' ' A' ' 73' ' ' THR . 1.6 m-85 -129.08 -172.71 2.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -127.68 150.62 49.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.973 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.57 -29.79 59.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.98 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 68.75 20.83 8.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -139.91 167.87 21.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -100.38 137.11 19.89 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.55 ' HA ' HD12 ' A' ' 66' ' ' ILE . 18.3 Cg_endo -75.01 172.48 62.8 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.969 0.019 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.505 ' HD3' HD12 ' A' ' 66' ' ' ILE . 18.2 Cg_endo -75.01 120.1 5.92 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.493 1.786 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -135.99 141.48 44.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.644 ' CD2' HD22 ' A' ' 51' ' ' LEU . 22.0 m95 -90.23 128.41 36.38 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.771 ' C ' HD11 ' A' ' 23' ' ' ILE . 3.5 m-30 -116.28 -169.47 1.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.587 1.18 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.405 ' C ' HG22 ' A' ' 73' ' ' THR . 1.7 tpt -117.13 105.24 12.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.936 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.519 ' HA ' ' CG ' ' A' ' 61' ' ' TYR . 2.4 t 39.83 65.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.45 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.561 HG23 ' HD2' ' A' ' 71' ' ' PHE . 13.3 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.985 ' O ' HG23 ' A' ' 19' ' ' VAL . 2.3 t-20 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -39.72 -52.03 2.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -62.04 -41.03 97.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.337 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' ASN . 22.0 mt -66.21 -36.63 77.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.985 HG23 ' O ' ' A' ' 15' ' ' ASN . 2.6 t -67.97 -33.4 61.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.472 ' HA ' HG22 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -74.99 -35.65 62.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 108.261 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -68.53 -32.64 72.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.19 -59.32 2.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.473 ' CD1' ' HG2' ' A' ' 72' ' ' MET . 0.0 OUTLIER -47.68 -44.59 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -61.58 -52.63 63.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -52.88 -26.2 14.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.406 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.642 HD11 HE22 ' A' ' 35' ' ' GLN . 84.7 mt -78.61 -101.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.577 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 153.31 -78.89 0.2 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.418 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -114.11 -22.38 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.474 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 1.9 tt0 -62.87 -11.28 17.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 29' ' ' GLU . . . 36.2 -155.1 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.461 1.1 . . . . 0.0 111.033 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.775 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -120.14 87.36 2.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 0.764 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 t -81.36 179.55 7.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.381 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . -56.08 -76.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 35' ' ' GLN . . . -38.93 -47.57 1.46 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.642 HE22 HD11 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -37.79 -78.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.293 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.775 HD11 ' HB1' ' A' ' 31' ' ' ALA . 10.4 mp -46.85 -49.16 20.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.939 HG23 ' HA ' ' A' ' 42' ' ' MET . 98.9 m -49.73 -21.81 1.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.424 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.3 -38.38 11.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -61.57 -30.41 70.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.256 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.656 HD11 ' CG1' ' A' ' 47' ' ' VAL . 0.1 OUTLIER -110.56 -69.62 0.86 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 37' ' ' THR . 0.3 OUTLIER 172.35 -56.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.939 ' HA ' HG23 ' A' ' 37' ' ' THR . 4.8 ttp 176.38 35.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.622 ' H ' HD12 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -87.35 51.88 2.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 110.266 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.767 ' HA ' HG22 ' A' ' 47' ' ' VAL . 13.5 ttmt -47.9 -21.74 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 46' ' ' GLU . 1.1 ptm180 -68.59 -39.31 80.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -81.54 -35.86 29.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.911 ' O ' HD13 ' A' ' 51' ' ' LEU . 1.0 OUTLIER -74.65 -26.44 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 11.9 t-20 -78.78 -53.75 6.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -60.28 -33.73 72.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.12 -39.55 60.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.249 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.911 HD13 ' O ' ' A' ' 47' ' ' VAL . 4.1 mp -63.78 -41.38 97.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.411 ' CD1' ' N ' ' A' ' 53' ' ' ASP . 1.3 t80 -65.72 -51.22 61.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.411 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 0.4 OUTLIER -58.63 -57.62 12.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.599 HD22 ' HB2' ' A' ' 59' ' ' MET . 13.1 mt -53.87 -38.88 65.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -61.77 -46.58 88.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.262 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.407 ' CD ' ' O ' ' A' ' 52' ' ' TYR . 0.5 OUTLIER -68.39 -20.9 64.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.701 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 43.1 t -83.15 -32.57 26.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.933 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 85.83 26.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.599 ' HB2' HD22 ' A' ' 54' ' ' LEU . 0.7 OUTLIER -87.59 -16.28 34.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 71' ' ' PHE . 1.1 t -137.55 164.97 27.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.515 ' CG ' ' HA ' ' A' ' 73' ' ' THR . 1.6 m-85 -128.19 -172.01 2.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.5 t -127.44 161.38 28.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.039 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -90.11 -8.14 52.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.996 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 51.96 43.19 30.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.357 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -164.03 166.44 21.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.494 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 22.6 mt -101.69 136.78 19.5 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.2 Cg_endo -75.03 173.4 58.11 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.963 -2.515 . . . . 0.0 110.975 0.031 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 108.41 2.71 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.486 1.782 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.427 ' NH1' ' HG2' ' A' ' 67' ' ' PRO . 6.9 mtt85 -114.84 119.93 38.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.571 ' NE1' HD23 ' A' ' 51' ' ' LEU . 57.5 m95 -79.05 122.67 26.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 108.021 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.586 ' O ' HG12 ' A' ' 60' ' ' VAL . 6.0 m-30 -113.47 -169.47 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.473 ' HG2' ' CD1' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -117.03 99.92 7.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.976 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.515 ' HA ' ' CG ' ' A' ' 61' ' ' TYR . 1.8 t 42.36 69.4 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.416 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.349 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 1.044 ' O ' HG23 ' A' ' 19' ' ' VAL . 2.2 p30 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.79 -44.8 14.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.494 ' OE2' ' CD1' ' A' ' 18' ' ' ILE . 0.8 OUTLIER -61.57 -37.33 83.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.26 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.494 ' CD1' ' OE2' ' A' ' 17' ' ' GLU . 38.3 mm -78.15 -32.74 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 1.044 HG23 ' O ' ' A' ' 15' ' ' ASN . 3.4 t -70.63 -32.94 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.482 ' HA ' HG22 ' A' ' 23' ' ' ILE . 1.3 m -81.49 -40.03 23.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 108.29 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -68.19 -32.3 72.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 110.295 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.85 -61.01 2.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.735 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -48.85 -38.67 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -49.85 50.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.9 m -53.86 -26.39 24.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.929 HD13 ' O ' ' A' ' 30' ' ' GLY . 91.7 mt -68.11 -101.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.695 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 143.26 -76.98 0.29 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.454 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -119.2 -21.83 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.788 . . . . 0.0 109.323 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.745 ' HB3' HG23 ' A' ' 26' ' ' ILE . 7.2 tt0 -68.27 -6.15 22.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.929 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 35.81 -154.32 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.544 1.152 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.901 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -135.88 90.96 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.23 170.03 10.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.402 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . -43.84 -74.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 35' ' ' GLN . . . -38.12 -54.44 1.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -36.05 -80.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.901 HD11 ' HB1' ' A' ' 31' ' ' ALA . 9.5 mp -44.91 -52.27 8.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.864 HG23 ' HA ' ' A' ' 42' ' ' MET . 20.5 m -45.08 -24.98 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.403 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.407 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -91.42 -40.52 11.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.6 -29.64 66.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.731 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -113.69 -70.73 0.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.427 ' O ' ' HB2' ' A' ' 42' ' ' MET . 0.2 OUTLIER 172.67 -56.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.288 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.864 ' HA ' HG23 ' A' ' 37' ' ' THR . 0.2 OUTLIER 177.05 36.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.993 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.731 ' H ' HD12 ' A' ' 40' ' ' LEU . 5.7 tt0 -85.68 51.93 2.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.342 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.712 ' HA ' HG22 ' A' ' 47' ' ' VAL . 22.6 tttt -45.86 -23.46 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.446 ' N ' ' C ' ' A' ' 43' ' ' GLU . 2.6 mtm180 -67.74 -44.31 77.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 110.236 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 43' ' ' GLU . 0.8 OUTLIER -75.66 -37.58 59.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.712 HG22 ' HA ' ' A' ' 44' ' ' LYS . 1.0 OUTLIER -72.23 -27.47 26.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.558 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 3.3 m-20 -73.42 -58.74 3.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -60.25 -30.12 69.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 46' ' ' GLU . . . -75.2 -44.88 43.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.57 ' HB3' ' CZ2' ' A' ' 70' ' ' TRP . 0.2 OUTLIER -62.66 -42.02 99.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 109.323 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.558 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 24.8 m-85 -64.32 -67.02 0.47 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 111.045 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -43.01 -48.3 5.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.767 HD12 HG11 ' A' ' 19' ' ' VAL . 12.1 mt -63.07 -39.4 94.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' TYR . 2.5 tt0 -59.51 -51.05 71.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -69.53 -21.92 63.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.691 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 1.7 m -82.33 -30.22 30.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.041 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 85.36 23.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.457 ' CG ' ' HB3' ' A' ' 57' ' ' SER . 0.1 OUTLIER -83.68 -11.42 57.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.617 HG22 ' HB3' ' A' ' 54' ' ' LEU . 6.7 m -152.18 161.42 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.544 ' CD2' ' HA ' ' A' ' 73' ' ' THR . 1.9 m-85 -125.2 -167.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.4 t -126.47 160.35 30.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.989 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -86.23 -25.41 25.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.051 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 75.05 22.85 1.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -143.11 173.74 11.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.539 HD12 ' HA ' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -106.83 137.88 19.62 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.539 ' HA ' HD12 ' A' ' 66' ' ' ILE . 18.2 Cg_endo -75.0 173.14 59.46 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.996 0.053 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.465 ' HD3' HD12 ' A' ' 66' ' ' ILE . 18.3 Cg_endo -75.05 107.47 2.49 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.492 1.786 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.75 128.24 55.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.57 ' CZ2' ' HB3' ' A' ' 51' ' ' LEU . 59.1 m95 -82.0 125.42 30.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 108.008 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.507 ' CE1' ' HA3' ' A' ' 30' ' ' GLY . 3.8 m-30 -115.36 -169.12 1.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.477 ' HB2' ' CD1' ' A' ' 23' ' ' ILE . 1.0 OUTLIER -112.1 98.14 7.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 110.987 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.544 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 0.8 OUTLIER 37.22 87.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.5 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.392 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.999 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.15 -37.5 22.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -64.76 -47.62 77.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.1 mm -70.25 -34.54 59.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.999 HG23 ' O ' ' A' ' 15' ' ' ASN . 21.4 t -67.84 -35.19 71.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.63 ' HA ' HG22 ' A' ' 23' ' ' ILE . 49.9 t -78.88 -34.61 44.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 108.287 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -65.83 -33.79 76.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.58 -60.81 2.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.827 ' HA ' HD12 ' A' ' 26' ' ' ILE . 17.6 tt -49.35 -39.82 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -69.67 -51.04 38.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.3 m -53.07 -27.14 18.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.36 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.827 HD12 ' HA ' ' A' ' 23' ' ' ILE . 13.3 mt -75.86 -100.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.453 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 144.04 -74.2 0.32 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.473 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -114.65 -23.51 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.759 . . . . 0.0 109.293 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.532 ' CB ' ' CG2' ' A' ' 26' ' ' ILE . 1.8 tt0 -67.53 -7.49 26.37 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.755 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 36.75 -155.63 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.49 ' O ' HD12 ' A' ' 36' ' ' LEU . . . -121.31 89.27 3.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.9 t -81.19 174.38 11.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.371 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' LEU . . . -55.38 -65.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.345 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -37.83 -61.8 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -55.26 -40.23 70.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.927 ' O ' HD21 ' A' ' 40' ' ' LEU . 2.3 mt -75.07 -2.51 27.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.778 HG23 ' HA ' ' A' ' 42' ' ' MET . 99.7 m -112.1 -15.0 13.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.431 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.18 -33.81 9.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -29.4 70.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.927 HD21 ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -104.23 -104.17 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.418 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.5 OUTLIER -161.54 25.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.778 ' HA ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER 75.4 41.88 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 111.023 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.511 ' H ' HD12 ' A' ' 40' ' ' LEU . 8.2 mm-40 -96.22 59.94 1.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.695 ' HA ' HG12 ' A' ' 47' ' ' VAL . 7.3 ttpt -45.35 -25.38 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.438 ' N ' ' C ' ' A' ' 43' ' ' GLU . 1.8 mtt85 -63.87 -51.32 65.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.421 ' HG2' ' CB ' ' A' ' 43' ' ' GLU . 7.9 pt-20 -76.07 -37.69 57.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.695 HG12 ' HA ' ' A' ' 44' ' ' LYS . 0.4 OUTLIER -67.81 -25.79 33.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.554 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 27.5 m-20 -76.88 -59.81 2.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -52.96 -32.78 47.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.59 -65.79 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.516 ' HG ' ' CE2' ' A' ' 70' ' ' TRP . 4.9 mp -41.43 -42.52 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.554 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 13.2 m-85 -61.98 -67.19 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -44.29 -48.71 9.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.884 HD13 ' SD ' ' A' ' 59' ' ' MET . 22.3 mt -58.64 -46.38 87.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -55.18 -38.99 69.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.26 -17.21 50.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.704 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 8.3 t -85.44 -36.76 20.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.021 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 86.05 22.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.884 ' SD ' HD13 ' A' ' 54' ' ' LEU . 1.1 ptm -80.78 -19.83 43.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.618 HG13 ' HE2' ' A' ' 59' ' ' MET . 34.8 m -135.34 163.72 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.523 ' CD2' ' HA ' ' A' ' 73' ' ' THR . 1.8 m-85 -125.37 -166.97 1.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 31.2 t -125.21 168.15 13.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.576 1.173 . . . . 0.0 109.979 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.591 ' OG ' ' CZ ' ' A' ' 71' ' ' PHE . 4.7 m -89.83 -28.84 19.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.995 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.4 ' CB ' ' O ' ' A' ' 63' ' ' SER . 2.7 m-20 75.47 42.35 0.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -170.23 177.56 4.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.732 HG23 ' HA ' ' A' ' 67' ' ' PRO . 5.1 mp -109.12 139.5 21.04 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.732 ' HA ' HG23 ' A' ' 66' ' ' ILE . 18.3 Cg_endo -74.96 173.46 57.74 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.059 -0.043 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 123.73 8.1 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.48 1.779 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 25.0 mtp85 -133.23 138.53 46.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.516 ' CE2' ' HG ' ' A' ' 51' ' ' LEU . 23.1 m95 -91.13 121.11 32.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 108.01 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.591 ' CZ ' ' OG ' ' A' ' 63' ' ' SER . 6.3 m-30 -108.1 -170.4 1.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 111.063 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.48 ' O ' ' C ' ' A' ' 73' ' ' THR . 1.4 ttp -116.53 95.08 4.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.97 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.682 HG23 ' O ' ' A' ' 73' ' ' THR . 12.9 t 32.24 89.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.392 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.9 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.399 179.942 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.852 ' O ' HG23 ' A' ' 19' ' ' VAL . 13.8 t-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.02 -44.32 4.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.429 ' OE1' ' N ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -68.72 -36.96 79.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.46 ' N ' ' O ' ' A' ' 15' ' ' ASN . 14.5 mm -71.74 -49.04 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 15' ' ' ASN . 4.0 t -55.11 -41.45 59.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.592 ' HA ' HG22 ' A' ' 23' ' ' ILE . 17.3 t -68.82 -63.47 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 108.299 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -42.12 -27.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.42 ' N ' ' C ' ' A' ' 20' ' ' CYS . . . -78.97 -64.88 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.764 ' O ' HD13 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -54.17 -19.01 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.1 -44.07 13.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.88 -32.59 70.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.383 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.629 HG22 ' N ' ' A' ' 27' ' ' GLY . 6.7 mt -68.27 -101.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.629 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 155.11 -80.49 0.18 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.45 ' O ' HD12 ' A' ' 28' ' ' ILE . 0.7 OUTLIER -114.04 -18.82 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 0.794 . . . . 0.0 109.276 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.434 ' CB ' ' CG2' ' A' ' 26' ' ' ILE . 1.8 tt0 -67.97 -6.37 21.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.337 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.495 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 37.2 -155.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.724 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -124.4 87.61 2.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.458 ' O ' ' CD1' ' A' ' 36' ' ' LEU . 3.6 t -84.27 163.07 19.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.403 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . -53.33 -58.0 8.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -37.27 -65.7 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.79 -42.23 64.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.768 HD23 ' HB ' ' A' ' 47' ' ' VAL . 2.9 mp -66.03 -10.96 44.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.787 HG23 ' HA ' ' A' ' 42' ' ' MET . 92.9 m -107.05 -17.36 14.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 110.461 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.9 -51.63 4.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.07 -31.49 7.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.743 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -103.7 -77.98 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.481 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.3 OUTLIER 171.71 -40.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.787 ' HA ' HG23 ' A' ' 37' ' ' THR . 2.4 mtt 161.84 40.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.743 ' H ' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -92.98 53.21 1.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.34 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.734 ' HA ' HG22 ' A' ' 47' ' ' VAL . 2.1 tttt -53.34 -19.07 2.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -68.28 -48.49 64.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -71.49 -39.97 70.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.768 ' HB ' HD23 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -69.93 -28.37 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.597 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 2.7 m-20 -69.59 -56.09 8.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.02 -27.47 69.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.94 -37.25 48.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.945 HD22 ' CE2' ' A' ' 70' ' ' TRP . 24.3 mt -71.31 -41.0 70.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.597 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 28.9 m-85 -65.7 -58.68 5.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -51.8 -53.21 42.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.682 ' HB3' HG22 ' A' ' 60' ' ' VAL . 12.3 mt -57.62 -44.65 85.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.422 ' NE2' ' HD2' ' A' ' 56' ' ' ARG . 1.8 tt0 -51.5 -51.92 51.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.422 ' HD2' ' NE2' ' A' ' 55' ' ' GLN . 0.2 OUTLIER -72.37 -17.96 61.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.608 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 50.4 m -81.44 -28.38 34.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 78.39 15.03 1.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.356 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.409 ' HG3' HG13 ' A' ' 60' ' ' VAL . 1.5 tpp -77.22 -19.68 56.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.461 1.1 . . . . 0.0 111.034 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.682 HG22 ' HB3' ' A' ' 54' ' ' LEU . 15.4 m -136.52 157.78 37.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.537 ' CD2' ' HA ' ' A' ' 73' ' ' THR . 1.9 m-85 -125.66 -168.54 1.86 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 111.041 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.99 160.55 29.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.959 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 52.8 m -87.86 -14.82 38.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.994 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 60.47 25.11 14.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -147.88 169.5 19.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.231 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.739 HG23 ' HA ' ' A' ' 67' ' ' PRO . 4.9 mp -100.7 140.14 21.13 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.739 ' HA ' HG23 ' A' ' 66' ' ' ILE . 18.2 Cg_endo -75.01 172.51 62.68 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 121.021 -2.491 . . . . 0.0 111.025 0.004 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 108.81 2.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.522 1.801 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 48.2 mtt180 -124.17 135.16 53.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.945 ' CE2' HD22 ' A' ' 51' ' ' LEU . 51.8 m95 -87.6 122.27 31.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 108.001 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.47 ' CE1' ' HA3' ' A' ' 30' ' ' GLY . 5.9 m-30 -109.44 -169.24 1.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.577 ' HB3' HD12 ' A' ' 23' ' ' ILE . 5.7 ptm -114.06 97.2 6.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.966 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.651 HG23 ' O ' ' A' ' 73' ' ' THR . 9.8 t 32.73 89.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.391 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.0 p . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.371 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 1.002 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.24 -37.38 4.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 18' ' ' ILE . 13.2 pt-20 -65.88 -46.73 77.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.432 HD13 ' HA ' ' A' ' 18' ' ' ILE . 13.2 mm -70.87 -29.91 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 1.002 HG23 ' O ' ' A' ' 15' ' ' ASN . 15.6 t -68.98 -40.87 81.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.541 ' HA ' HG22 ' A' ' 23' ' ' ILE . 0.8 OUTLIER -75.06 -31.45 61.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 108.32 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -69.85 -42.27 73.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.26 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.38 -56.67 5.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.954 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -48.75 -41.8 12.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -68.19 -50.51 53.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -53.62 -28.41 32.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.422 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.954 HD12 ' HA ' ' A' ' 23' ' ' ILE . 44.5 mt -65.78 -100.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.657 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 138.47 -75.29 0.38 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.562 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -117.45 -26.0 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.781 ' HB3' HG23 ' A' ' 26' ' ' ILE . 1.3 tt0 -66.94 -5.26 11.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.584 1.178 . . . . 0.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.833 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 35.31 -154.43 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.832 ' HB1' HD12 ' A' ' 36' ' ' LEU . . . -142.47 96.34 2.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.567 HG23 ' N ' ' A' ' 33' ' ' ALA . 0.6 OUTLIER -79.28 -175.89 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.412 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.567 ' N ' HG23 ' A' ' 32' ' ' THR . . . -52.9 -77.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.49 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -33.42 -58.53 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -36.31 -85.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.085 . . . . 0.0 110.263 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.832 HD12 ' HB1' ' A' ' 31' ' ' ALA . 1.5 mp -43.76 -54.85 4.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.2 m -42.22 -25.54 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.399 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.422 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -91.33 -40.26 11.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 36' ' ' LEU . 1.7 mp0 -50.29 -28.37 7.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.772 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -100.98 -105.16 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.436 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.3 OUTLIER -163.86 25.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.253 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.436 ' CB ' ' O ' ' A' ' 41' ' ' ASN . 1.9 ttt 76.81 51.88 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.772 ' H ' HD12 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -110.95 69.38 0.68 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.684 ' HA ' HG12 ' A' ' 47' ' ' VAL . 10.2 tttt -40.6 -28.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -64.39 -48.97 73.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.603 ' CG ' HD13 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -78.16 -35.17 49.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.322 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.728 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -70.67 -25.24 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.574 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 23.4 m-20 -79.23 -56.3 4.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.238 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -58.98 -31.81 69.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.18 -52.95 12.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.784 HD11 HD22 ' A' ' 36' ' ' LEU . 5.6 mp -53.98 -45.96 71.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.574 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 19.5 m-85 -59.68 -67.43 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.55 -50.76 5.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.432 HD11 HG11 ' A' ' 19' ' ' VAL . 11.1 mt -53.8 -41.12 66.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.125 . . . . 0.0 109.352 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 52' ' ' TYR . 30.0 tt0 -66.05 -56.97 8.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.261 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -53.07 -23.47 7.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 110.303 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.739 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 1.5 p -88.96 -37.3 15.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.971 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.739 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 89.14 15.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -62.79 -24.29 67.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.428 HG23 ' HE3' ' A' ' 70' ' ' TRP . 13.7 m -137.34 167.79 22.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.539 ' CD2' ' HA ' ' A' ' 73' ' ' THR . 1.9 m-85 -125.26 -167.46 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.2 t -133.78 148.58 51.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.426 ' C ' ' N ' ' A' ' 65' ' ' ASP . 22.6 t -83.2 -11.14 58.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 t0 45.63 26.29 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.426 ' N ' ' C ' ' A' ' 63' ' ' SER . 0.8 OUTLIER -151.25 170.14 20.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.985 HD12 ' HD3' ' A' ' 68' ' ' PRO . 0.7 OUTLIER -89.15 138.03 29.14 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.3 Cg_endo -74.98 149.71 94.29 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.015 -0.047 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.985 ' HD3' HD12 ' A' ' 66' ' ' ILE . 18.4 Cg_endo -75.0 107.98 2.61 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.546 1.814 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.473 ' HB3' ' CB ' ' A' ' 32' ' ' THR . 0.0 OUTLIER -144.67 -176.74 5.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.497 ' CE2' ' HG ' ' A' ' 51' ' ' LEU . 7.7 m95 -109.04 133.7 52.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 108.044 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.562 ' CZ ' ' O ' ' A' ' 28' ' ' ILE . 2.5 m-30 -117.66 -168.76 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.466 ' HB2' ' CD1' ' A' ' 23' ' ' ILE . 36.8 ttp -114.89 98.14 6.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 111.055 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.539 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 0.7 OUTLIER 38.19 85.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.356 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.5 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 110.406 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.832 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.43 -35.24 0.98 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 18' ' ' ILE . 23.9 pt-20 -63.85 -46.72 83.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 15' ' ' ASN . 24.9 mt -73.97 -29.91 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 15' ' ' ASN . 17.3 t -68.33 -38.98 80.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.55 ' HA ' HG22 ' A' ' 23' ' ' ILE . 5.3 t -75.63 -34.56 60.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 108.289 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -68.17 -32.97 73.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.04 -61.01 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.876 ' HA ' HD12 ' A' ' 26' ' ' ILE . 12.2 tt -46.15 -43.2 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -66.08 -50.47 64.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -53.51 -25.8 18.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.454 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.876 HD12 ' HA ' ' A' ' 23' ' ' ILE . 42.0 mt -73.85 -100.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.528 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 141.28 -72.62 0.4 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.481 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.7 OUTLIER -118.83 -31.11 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.265 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.568 ' HB3' HG23 ' A' ' 26' ' ' ILE . 2.5 tp10 -63.56 -9.78 14.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.254 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.868 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 36.28 -154.62 0.01 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.882 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -124.72 89.16 3.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.52 ' O ' HD13 ' A' ' 36' ' ' LEU . 2.5 t -86.23 160.42 19.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.387 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 36' ' ' LEU . . . -51.7 -63.39 1.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -38.18 -53.78 1.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -56.53 -46.89 80.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.882 HD11 ' HB1' ' A' ' 31' ' ' ALA . 9.7 mp -69.64 -6.59 32.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.994 HG23 ' HA ' ' A' ' 42' ' ' MET . 52.1 m -106.66 -15.71 14.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 110.412 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.49 -51.64 4.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.402 ' HB3' HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -50.35 -35.52 28.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.313 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.693 HD21 ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -102.88 -77.5 0.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.447 ' O ' ' HB2' ' A' ' 42' ' ' MET . 0.3 OUTLIER 179.29 -56.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.994 ' HA ' HG23 ' A' ' 37' ' ' THR . 1.9 ttt 175.96 36.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.69 ' O ' HG13 ' A' ' 47' ' ' VAL . 1.2 mm-40 -85.33 50.94 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.263 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.754 ' HA ' HG22 ' A' ' 47' ' ' VAL . 13.3 ttpt -54.99 -17.29 3.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.1 ttm-85 -68.74 -46.53 68.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -74.34 -39.0 63.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.266 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.799 ' HB ' HD23 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -72.29 -25.91 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 7.3 t30 -73.21 -62.94 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.4 tptt -54.33 -37.98 65.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.0 -53.14 42.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.575 ' HB3' ' CZ2' ' A' ' 70' ' ' TRP . 0.5 OUTLIER -54.81 -65.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 109.258 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.407 ' O ' ' N ' ' A' ' 55' ' ' GLN . 0.6 OUTLIER -38.75 -63.07 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -44.13 -53.31 6.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.728 ' HB3' HG22 ' A' ' 60' ' ' VAL . 24.0 mt -55.08 -39.24 69.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 52' ' ' TYR . 29.5 tt0 -59.57 -47.53 85.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.23 -17.96 61.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.696 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 19.5 m -86.99 -33.36 19.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 84.34 22.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.412 ' CG ' ' HB3' ' A' ' 57' ' ' SER . 0.7 OUTLIER -85.6 -10.23 56.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.728 HG22 ' HB3' ' A' ' 54' ' ' LEU . 21.1 m -144.54 171.07 7.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.539 ' CD1' ' HA ' ' A' ' 73' ' ' THR . 11.1 m-85 -134.13 -174.64 3.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.5 t -120.21 164.17 16.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.989 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.9 m -89.68 -17.49 28.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.022 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 60.21 22.56 11.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.249 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -141.84 168.41 19.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.646 HD12 ' HA ' ' A' ' 67' ' ' PRO . 3.1 tp -104.57 135.28 19.34 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.646 ' HA ' HD12 ' A' ' 66' ' ' ILE . 18.3 Cg_endo -75.0 172.85 60.95 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.009 -0.021 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.637 ' HD3' HD12 ' A' ' 66' ' ' ILE . 18.4 Cg_endo -74.98 113.8 3.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.475 1.776 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 63.7 mtm-85 -121.46 126.41 49.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.575 ' CZ2' ' HB3' ' A' ' 51' ' ' LEU . 49.3 m95 -79.5 122.86 26.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 107.995 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.86 ' C ' HD11 ' A' ' 23' ' ' ILE . 5.5 m-30 -112.55 -170.97 1.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.416 ' O ' ' C ' ' A' ' 73' ' ' THR . 0.9 OUTLIER -118.47 106.45 12.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.692 ' O ' HG22 ' A' ' 73' ' ' THR . 0.7 OUTLIER 37.07 91.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.382 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.414 HG21 ' HD2' ' A' ' 71' ' ' PHE . 42.4 p . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.436 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.966 ' O ' HG23 ' A' ' 19' ' ' VAL . 13.7 t-20 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 1.01 ' HB1' HD21 ' A' ' 54' ' ' LEU . . . -41.42 -43.88 2.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.402 ' C ' ' OE1' ' A' ' 17' ' ' GLU . 0.7 OUTLIER -68.86 -39.9 79.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.35 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 15' ' ' ASN . 13.8 mm -68.42 -35.76 72.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.966 HG23 ' O ' ' A' ' 15' ' ' ASN . 2.7 t -66.95 -40.89 86.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.469 ' HA ' HG22 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -66.51 -40.37 89.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 108.291 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.19 -33.19 75.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.03 -62.42 1.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.591 HD11 ' CA ' ' A' ' 71' ' ' PHE . 2.5 tt -44.65 -38.57 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.56 -46.81 68.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.8 m -59.3 -28.3 66.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.651 HG21 ' N ' ' A' ' 30' ' ' GLY . 20.5 mm -60.57 -96.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.54 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 140.7 -71.15 0.43 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.932 HD13 ' N ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -119.68 -31.78 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.932 ' N ' HD13 ' A' ' 28' ' ' ILE . 1.2 tp10 -63.99 -11.09 25.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.651 ' N ' HG21 ' A' ' 26' ' ' ILE . . . 35.49 -154.13 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.511 1.132 . . . . 0.0 110.949 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.968 ' HB1' ' CD1' ' A' ' 36' ' ' LEU . . . -129.97 89.83 2.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 0.751 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.547 HG23 ' N ' ' A' ' 33' ' ' ALA . 6.2 t -81.33 -159.19 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.42 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.547 ' N ' HG23 ' A' ' 32' ' ' THR . . . -69.07 -75.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 35' ' ' GLN . . . -36.61 -58.56 0.72 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 34' ' ' ALA . 5.1 mm100 -34.71 -84.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.346 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.968 ' CD1' ' HB1' ' A' ' 31' ' ' ALA . 2.9 mp -44.39 -53.34 6.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.466 ' CG2' ' HA ' ' A' ' 42' ' ' MET . 19.4 m -42.83 -25.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.4 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.421 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -91.86 -41.39 10.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 36' ' ' LEU . 2.8 mp0 -51.66 -29.75 19.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.74 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -102.4 -104.67 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.423 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.4 OUTLIER -162.78 25.34 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.466 ' HA ' ' CG2' ' A' ' 37' ' ' THR . 8.6 ttm 76.21 51.87 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.74 ' H ' HD12 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -108.87 68.25 0.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.261 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.696 ' HA ' HG12 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -40.5 -29.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.257 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.452 ' N ' ' C ' ' A' ' 43' ' ' GLU . 1.2 mtm-85 -63.41 -49.14 74.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.343 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 43' ' ' GLU . 6.7 pt-20 -80.6 -36.25 33.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.696 HG12 ' HA ' ' A' ' 44' ' ' LYS . 0.4 OUTLIER -67.76 -25.35 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 32.7 t-20 -83.99 -47.44 10.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.21 -30.96 71.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.74 -52.08 9.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.877 HD13 ' NE1' ' A' ' 70' ' ' TRP . 13.4 mt -58.63 -33.59 70.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.529 ' CD2' ' N ' ' A' ' 53' ' ' ASP . 3.2 t80 -69.85 -62.37 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.529 ' N ' ' CD2' ' A' ' 52' ' ' TYR . 0.4 OUTLIER -49.55 -42.39 43.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 1.01 HD21 ' HB1' ' A' ' 16' ' ' ALA . 13.7 mt -65.04 -38.74 91.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -61.16 -42.84 99.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.332 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -80.46 -17.65 51.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.693 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 65.1 m -80.42 -31.53 37.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 83.69 16.64 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.435 ' HB2' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -76.66 -20.29 56.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 111.035 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.5 m -140.7 178.24 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.553 ' CD1' ' HA ' ' A' ' 73' ' ' THR . 15.6 m-85 -138.44 -179.61 5.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.66 154.73 33.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.039 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.0 t -81.01 -17.77 49.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 59.64 27.79 17.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -148.27 167.25 25.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.564 ' CG1' ' HA ' ' A' ' 67' ' ' PRO . 8.4 tt -102.52 135.95 19.44 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.564 ' HA ' ' CG1' ' A' ' 66' ' ' ILE . 18.3 Cg_endo -74.98 169.46 74.5 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.991 -2.504 . . . . 0.0 110.973 -0.043 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 117.11 4.78 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.515 1.797 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.41 ' NH1' ' HD2' ' A' ' 67' ' ' PRO . 8.3 mtm-85 -128.27 129.18 45.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.877 ' NE1' HD13 ' A' ' 51' ' ' LEU . 49.8 m95 -83.19 121.78 27.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 107.979 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.591 ' CA ' HD11 ' A' ' 23' ' ' ILE . 3.7 m-30 -115.73 175.98 5.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.496 ' HE1' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -100.23 109.99 22.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.674 ' O ' HG22 ' A' ' 73' ' ' THR . 0.8 OUTLIER 37.2 90.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.375 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.3 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.404 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 1.01 ' O ' HG23 ' A' ' 19' ' ' VAL . 17.7 t30 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.54 -45.64 3.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.65 -38.62 80.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.239 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 15' ' ' ASN . 18.1 mt -69.33 -32.3 52.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 1.01 HG23 ' O ' ' A' ' 15' ' ' ASN . 2.8 t -70.97 -39.77 75.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.493 ' HA ' HG22 ' A' ' 23' ' ' ILE . 1.7 m -69.71 -34.32 73.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 108.335 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.91 -37.63 76.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.7 -56.35 7.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.547 HG22 ' O ' ' A' ' 19' ' ' VAL . 4.3 tt -51.15 -42.95 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.6 -51.25 70.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 m -60.47 -24.5 65.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.393 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.64 HG21 ' N ' ' A' ' 30' ' ' GLY . 2.1 mm -74.77 -100.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.508 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 136.22 -69.18 0.52 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.543 1.152 . . . . 0.0 111.022 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.536 ' C ' HD12 ' A' ' 28' ' ' ILE . 0.5 OUTLIER -116.39 -31.79 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 0.786 . . . . 0.0 109.343 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.492 ' HB3' HG23 ' A' ' 26' ' ' ILE . 1.5 tt0 -64.96 -8.84 17.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.64 ' N ' HG21 ' A' ' 26' ' ' ILE . . . 36.42 -155.69 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.438 1.086 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 1.027 ' HB1' ' CD1' ' A' ' 36' ' ' LEU . . . -116.44 91.82 3.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.432 ' HB ' ' CZ ' ' A' ' 69' ' ' ARG . 1.6 t -79.42 -175.54 4.78 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 110.395 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.405 ' N ' HG23 ' A' ' 32' ' ' THR . . . -57.14 -73.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -39.5 -51.01 2.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.483 ' NE2' ' O ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -38.12 -84.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.027 ' CD1' ' HB1' ' A' ' 31' ' ' ALA . 6.6 mp -48.08 -52.15 21.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.652 HG23 ' HA ' ' A' ' 42' ' ' MET . 13.3 m -42.22 -25.37 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 110.429 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.433 ' N ' ' C ' ' A' ' 36' ' ' LEU . 25.6 mtp85 -93.37 -38.98 11.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.249 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -53.12 -31.63 43.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.704 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -97.48 -103.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.447 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.3 OUTLIER -160.52 24.57 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.652 ' HA ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER 77.92 39.52 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 110.933 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.704 ' H ' HD12 ' A' ' 40' ' ' LEU . 9.0 mm-40 -98.65 64.34 1.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.341 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.629 ' HA ' HG12 ' A' ' 47' ' ' VAL . 27.1 tttt -39.53 -29.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.458 ' N ' ' C ' ' A' ' 43' ' ' GLU . 8.8 mtt-85 -60.77 -51.37 69.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.36 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.5 ' CG ' HD13 ' A' ' 40' ' ' LEU . 7.0 pt-20 -75.67 -37.31 59.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.802 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -66.58 -27.8 41.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 4.0 m-20 -75.97 -63.16 1.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.96 -27.82 46.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.437 ' CB ' ' O ' ' A' ' 46' ' ' GLU . . . -77.71 -45.4 24.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.843 HD11 HD22 ' A' ' 36' ' ' LEU . 4.6 mp -60.62 -39.97 90.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -67.16 -59.06 3.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.38 -45.63 35.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.413 HD22 ' HB2' ' A' ' 59' ' ' MET . 13.5 mt -66.6 -35.46 80.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -61.44 -43.76 98.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.449 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 0.5 OUTLIER -82.26 -17.27 46.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.32 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.667 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 21.6 t -77.9 -30.88 50.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 82.11 18.32 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.413 ' HB2' HD22 ' A' ' 54' ' ' LEU . 0.8 OUTLIER -79.87 -20.6 45.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.447 HG23 ' HE3' ' A' ' 70' ' ' TRP . 8.8 m -143.03 164.07 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.526 ' CD2' ' N ' ' A' ' 74' ' ' THR . 1.9 m-85 -126.05 -169.01 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.67 164.05 21.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.953 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.2 t -89.45 -14.78 34.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.007 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.8 t70 54.43 42.03 31.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -169.8 157.69 7.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.77 HG23 ' HA ' ' A' ' 67' ' ' PRO . 4.7 mp -91.9 140.54 24.86 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.77 ' HA ' HG23 ' A' ' 66' ' ' ILE . 18.3 Cg_endo -75.04 170.2 72.5 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.047 -2.48 . . . . 0.0 110.983 0.003 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 135.84 19.52 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 0.0 110.989 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.432 ' CZ ' ' HB ' ' A' ' 32' ' ' THR . 1.6 mtp85 -154.46 135.28 13.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.522 ' CE2' ' HG ' ' A' ' 51' ' ' LEU . 28.7 m95 -87.52 123.07 32.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 108.016 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.52 ' CZ ' ' O ' ' A' ' 28' ' ' ILE . 8.3 m-30 -112.74 -169.25 1.44 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.482 ' O ' HG22 ' A' ' 73' ' ' THR . 7.8 ttp -111.71 99.54 8.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.701 ' O ' HG22 ' A' ' 74' ' ' THR . 0.6 OUTLIER 57.87 156.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.411 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.701 HG22 ' O ' ' A' ' 73' ' ' THR . 15.1 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.403 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.501 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.5 -38.21 63.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.245 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 18' ' ' ILE . 26.7 pt-20 -62.33 -45.92 91.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.436 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 5.3 mt -74.64 -38.93 46.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.647 ' O ' HG22 ' A' ' 23' ' ' ILE . 55.7 t -63.52 -29.67 47.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.545 ' HA ' HG22 ' A' ' 23' ' ' ILE . 1.7 m -80.51 -39.09 28.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 108.31 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.06 -35.33 80.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.41 -61.58 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.647 HG22 ' O ' ' A' ' 19' ' ' VAL . 15.2 tt -46.3 -37.72 3.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.359 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -67.74 -50.82 55.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.4 m -55.16 -25.46 32.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.447 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.621 HG21 ' N ' ' A' ' 30' ' ' GLY . 4.2 mm -68.43 -100.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.5 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 136.36 -68.9 0.52 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.541 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -116.58 -31.7 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.775 . . . . 0.0 109.348 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 30' ' ' GLY . 0.7 OUTLIER -64.02 -10.54 22.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.621 ' N ' HG21 ' A' ' 26' ' ' ILE . . . 36.84 -156.12 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.58 ' O ' HD12 ' A' ' 36' ' ' LEU . . . -130.84 95.66 3.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 0.719 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.451 ' HG1' ' HG2' ' A' ' 69' ' ' ARG . 1.1 t -79.83 160.25 26.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.422 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' LEU . . . -41.5 -67.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -37.78 -61.23 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -54.97 -40.69 70.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.989 ' O ' HD21 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -74.17 -3.64 30.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.662 HG23 ' HA ' ' A' ' 42' ' ' MET . 54.1 m -112.68 -12.97 13.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.347 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.56 -34.96 8.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -29.47 66.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.989 HD21 ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -100.6 -103.16 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -161.85 25.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.662 ' HA ' HG23 ' A' ' 37' ' ' THR . 30.0 mtp 73.2 46.89 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.052 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 46' ' ' GLU . 1.0 OUTLIER -98.19 61.0 1.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.15 . . . . 0.0 110.336 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.726 ' HA ' HG12 ' A' ' 47' ' ' VAL . 3.2 ttmm -41.78 -28.34 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.249 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.433 ' N ' ' C ' ' A' ' 43' ' ' GLU . 72.5 mtm-85 -65.01 -48.96 72.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 43' ' ' GLU . 10.9 pt-20 -79.83 -36.48 36.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.804 HG21 ' O ' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -69.35 -24.3 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 14.2 t-20 -81.68 -55.54 4.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.85 -31.91 65.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.94 -61.59 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.706 HD13 ' O ' ' A' ' 47' ' ' VAL . 6.4 mp -43.06 -37.27 1.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.53 ' CD2' ' N ' ' A' ' 53' ' ' ASP . 3.1 t80 -69.36 -62.88 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.53 ' N ' ' CD2' ' A' ' 52' ' ' TYR . 3.8 t0 -45.68 -48.39 15.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 58' ' ' ALA . 48.8 mt -59.38 -48.33 82.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -55.09 25.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.454 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 9.4 mpt_? -67.2 -18.29 65.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.652 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 34.0 m -85.41 -33.23 22.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.02 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 82.03 5.84 1.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.338 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.4 tpt -61.93 -29.01 69.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.9 m -125.73 164.19 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.529 ' CD2' ' HA ' ' A' ' 73' ' ' THR . 1.5 m-85 -124.9 -166.54 1.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 t -130.69 173.41 10.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.986 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 7.7 t -89.62 -38.58 13.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 63' ' ' SER . 6.1 t0 81.99 25.64 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -153.13 170.19 21.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.274 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.527 ' CG1' ' HA ' ' A' ' 67' ' ' PRO . 8.8 tt -106.85 134.87 19.66 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.527 ' HA ' ' CG1' ' A' ' 66' ' ' ILE . 18.3 Cg_endo -74.96 159.62 97.74 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.008 -0.012 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 147.69 34.43 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.539 1.81 . . . . 0.0 111.037 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.451 ' HG2' ' HG1' ' A' ' 32' ' ' THR . 48.0 mtt85 -151.61 141.86 22.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.453 ' CE2' ' HG ' ' A' ' 51' ' ' LEU . 37.9 m95 -86.5 119.29 26.6 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.562 ' CD1' ' HA3' ' A' ' 30' ' ' GLY . 5.5 m-30 -109.93 -170.13 1.59 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' THR . 9.9 tmm? -118.77 92.42 3.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.529 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 0.5 OUTLIER 37.45 90.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 110.396 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.4 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.424 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 1.001 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.74 -43.91 38.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.107 . . . . 0.0 109.266 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -39.04 88.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.3 mt -74.46 -39.17 47.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.423 1.077 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 1.001 HG23 ' O ' ' A' ' 15' ' ' ASN . 3.9 t -64.6 -34.53 70.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.584 ' HA ' HG22 ' A' ' 23' ' ' ILE . 46.8 t -72.17 -42.95 65.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 108.297 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -59.79 -36.12 76.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.98 -65.45 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.727 ' O ' HD13 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -47.49 -31.9 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 20' ' ' CYS . 9.0 tttp -70.28 -52.33 23.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.1 m -54.35 -28.56 43.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 110.368 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.54 HG22 ' N ' ' A' ' 27' ' ' GLY . 21.1 mm -61.24 -98.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.54 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 148.64 -75.99 0.26 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.57 1.169 . . . . 0.0 111.039 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.495 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -116.89 -26.24 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 109.343 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.465 ' H ' HD13 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -66.55 -8.49 27.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.499 ' HA3' ' CE1' ' A' ' 71' ' ' PHE . . . 36.42 -155.25 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.449 1.093 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.485 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -126.17 94.83 4.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 0.752 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.57 HG23 ' N ' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -80.79 174.55 11.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 110.408 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.57 ' N ' HG23 ' A' ' 32' ' ' THR . . . -55.2 -67.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 35' ' ' GLN . . . -37.93 -56.16 1.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 30' ' ' GLY . 3.1 mt-30 -35.7 -75.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.516 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 9.5 mp -47.61 -48.59 28.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.414 1.071 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.903 HG23 ' HA ' ' A' ' 42' ' ' MET . 37.4 m -51.82 -20.59 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.397 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 35' ' ' GLN . 1.3 ttp-105 -94.79 -33.51 12.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.1 -30.09 70.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.629 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -110.36 -64.63 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 42' ' ' MET . 0.3 OUTLIER 164.97 -56.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.903 ' HA ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER 173.04 37.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 111.013 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.629 ' H ' HD12 ' A' ' 40' ' ' LEU . 3.4 tt0 -79.88 52.36 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.641 ' HA ' HG12 ' A' ' 47' ' ' VAL . 39.3 ttmt -49.21 -24.6 1.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -52.5 57.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -77.48 -33.79 54.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.667 ' O ' HD23 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -69.93 -26.65 30.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.559 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 34.8 m-20 -77.75 -57.67 3.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -30.62 63.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.47 -58.55 3.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.844 HD12 ' CD2' ' A' ' 70' ' ' TRP . 0.8 OUTLIER -48.96 -43.94 40.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.559 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 16.0 m-85 -60.89 -67.45 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.957 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -42.02 -52.61 4.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.5 mt -58.96 -39.61 82.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' TYR . 41.5 tt0 -54.6 -49.59 70.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.288 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -73.68 -19.68 60.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.591 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 68.1 m -79.48 -28.63 41.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.074 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 77.19 12.92 2.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.419 ' CE ' ' O ' ' A' ' 59' ' ' MET . 5.6 tpt -70.6 -18.86 62.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 110.998 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 28.2 m -132.11 169.29 22.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.234 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.493 ' CG ' ' HA ' ' A' ' 73' ' ' THR . 0.7 OUTLIER -127.65 -169.36 2.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.67 156.01 45.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.984 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.7 t -88.65 -11.11 46.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.976 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 51.03 43.31 29.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -164.1 152.25 12.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.494 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 3.5 mt -84.34 136.4 40.36 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.3 Cg_endo -74.96 155.28 99.98 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.031 -2.487 . . . . 0.0 111.005 -0.002 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 114.42 4.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.537 ' HD2' ' CZ ' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -128.22 154.11 46.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.844 ' CD2' HD12 ' A' ' 51' ' ' LEU . 42.5 m95 -97.3 129.29 44.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.019 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.637 ' HA ' HD11 ' A' ' 23' ' ' ILE . 7.9 m-30 -112.88 -170.98 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 111.068 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.444 ' O ' ' C ' ' A' ' 73' ' ' THR . 3.5 ttp -116.96 95.85 5.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.493 ' HA ' ' CG ' ' A' ' 61' ' ' TYR . 8.4 t 35.23 55.89 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 110.388 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.1 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 1.004 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.97 -38.6 23.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -39.86 92.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.252 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.8 mt -73.96 -37.32 47.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 1.004 HG23 ' O ' ' A' ' 15' ' ' ASN . 7.1 t -62.46 -41.4 91.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.572 ' HA ' HG22 ' A' ' 23' ' ' ILE . 3.2 t -70.12 -39.85 75.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 108.328 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -30.02 70.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.34 -61.45 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.975 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -52.82 -26.98 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 20' ' ' CYS . 0.1 OUTLIER -78.75 -48.65 14.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.5 m -58.63 -35.29 72.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.378 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.975 HD12 ' HA ' ' A' ' 23' ' ' ILE . 23.4 mt -58.78 -99.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.513 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 136.27 -68.42 0.53 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.101 . . . . 0.0 111.014 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.576 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -115.18 -33.25 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 0.784 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.457 ' C ' HG21 ' A' ' 26' ' ' ILE . 0.8 OUTLIER -65.14 -9.3 21.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.34 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.975 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 36.75 -156.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.934 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -137.4 95.59 3.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 t -80.06 179.36 7.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.349 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . -58.02 -74.16 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -38.98 -49.25 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -37.5 -78.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.934 HD11 ' HB1' ' A' ' 31' ' ' ALA . 9.4 mp -46.91 -49.47 20.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.898 HG23 ' HA ' ' A' ' 42' ' ' MET . 82.0 m -48.88 -22.42 0.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.4 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.26 -38.97 11.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -60.36 -29.45 68.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.667 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -110.65 -70.82 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 172.85 -54.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.898 ' HA ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER 173.46 37.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.667 ' H ' HD12 ' A' ' 40' ' ' LEU . 7.4 mt-10 -93.05 55.37 2.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.32 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.756 ' HA ' HG22 ' A' ' 47' ' ' VAL . 0.5 OUTLIER -52.93 -16.02 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.432 ' N ' ' C ' ' A' ' 43' ' ' GLU . 1.3 mpt_? -66.56 -45.41 79.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -76.23 -32.63 59.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.097 . . . . 0.0 110.339 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.756 HG22 ' HA ' ' A' ' 44' ' ' LYS . 0.9 OUTLIER -77.94 -26.32 14.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 44' ' ' LYS . 12.7 t30 -74.71 -49.73 20.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.42 -33.36 74.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.86 -37.83 64.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 1.057 HD22 ' CD2' ' A' ' 70' ' ' TRP . 41.7 mt -73.74 -33.95 64.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.083 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -66.85 -44.53 80.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.64 -39.51 77.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.0 mt -69.59 -27.48 65.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.362 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -81.71 -30.26 32.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.428 ' N ' ' HD2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -81.67 -24.52 36.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.751 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 2.0 p -84.69 -34.23 23.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.751 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 89.82 20.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -74.63 -29.87 61.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.6 m -121.58 -156.82 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -174.1 -173.86 0.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 111.046 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.6 t -117.69 168.22 10.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 109.998 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 10.7 t -85.7 -30.67 22.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.962 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 63' ' ' SER . 3.6 t0 81.6 28.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -155.12 171.55 19.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.497 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -105.33 136.2 19.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.4 Cg_endo -74.97 166.54 82.96 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 121.008 -2.497 . . . . 0.0 111.026 -0.005 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 115.0 4.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 111.045 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.4 128.6 54.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.282 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 1.057 ' CD2' HD22 ' A' ' 51' ' ' LEU . 74.0 m95 -75.85 119.75 20.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 107.984 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.576 ' CZ ' ' O ' ' A' ' 28' ' ' ILE . 4.4 m-30 -114.06 -173.62 2.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.15 . . . . 0.0 111.038 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.403 ' C ' HG22 ' A' ' 73' ' ' THR . 39.3 ttp -110.82 72.83 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.403 HG22 ' C ' ' A' ' 72' ' ' MET . 1.3 t 38.91 73.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.5 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.356 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.758 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.58 -32.45 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 18' ' ' ILE . 13.1 pt-20 -70.27 -46.57 64.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.352 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 15' ' ' ASN . 30.4 mt -73.36 -32.54 37.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' ' 15' ' ' ASN . 33.6 t -65.78 -41.23 89.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.406 ' HA ' HG22 ' A' ' 23' ' ' ILE . 2.2 m -69.39 -43.72 72.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 108.276 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -64.67 -27.17 68.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.16 -61.14 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.787 ' HA ' HD12 ' A' ' 26' ' ' ILE . 10.9 tt -51.25 -30.66 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -73.41 -53.3 11.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 m -51.27 -30.32 17.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 110.387 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.813 HD13 ' O ' ' A' ' 30' ' ' GLY . 23.8 mt -71.65 -100.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.491 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 131.91 -67.04 0.57 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.533 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -115.9 -29.59 2.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 0.786 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.559 ' CB ' HG23 ' A' ' 26' ' ' ILE . 1.2 tp10 -65.4 -9.09 22.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.813 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 36.8 -155.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.773 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -131.65 95.18 3.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.788 . . . . 0.0 109.328 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.466 ' CB ' ' HB3' ' A' ' 69' ' ' ARG . 1.2 t -78.84 178.91 7.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.412 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . -67.3 -68.53 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -37.82 -58.48 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.455 ' HB2' HG22 ' A' ' 32' ' ' THR . 1.6 mt-30 -36.54 -71.56 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.843 HD23 ' CG2' ' A' ' 47' ' ' VAL . 8.5 mp -49.34 -45.55 45.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.897 HG23 ' HA ' ' A' ' 42' ' ' MET . 82.7 m -57.12 -17.75 12.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.369 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -95.97 -31.76 12.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 110.283 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -66.57 -28.89 68.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 110.286 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.805 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -110.65 -73.93 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.447 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.2 OUTLIER 173.41 -43.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.897 ' HA ' HG23 ' A' ' 37' ' ' THR . 2.4 mtm 164.33 41.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.805 ' H ' HD12 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -98.26 59.38 1.35 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.352 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.4 OUTLIER -65.96 -16.3 63.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.09 . . . . 0.0 109.27 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -56.2 19.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.43 ' OE2' HG23 ' A' ' 47' ' ' VAL . 0.9 OUTLIER -72.37 -38.04 68.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.843 ' CG2' HD23 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -68.05 -24.82 30.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.532 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 9.2 m-20 -74.47 -58.1 3.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -57.14 -30.87 64.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.347 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.95 -53.41 10.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.874 HD23 ' CE2' ' A' ' 70' ' ' TRP . 3.0 mp -53.45 -47.05 70.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.532 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 23.3 m-85 -58.46 -64.93 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.35 -46.42 9.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.0 mt -61.78 -38.93 89.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' TYR . 1.3 tm0? -58.31 -44.54 88.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.319 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.01 -18.94 55.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.706 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 29.9 t -79.44 -28.53 41.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 86.14 28.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.65 -18.66 21.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 111.009 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.436 HG23 ' N ' ' A' ' 61' ' ' TYR . 2.8 m -141.96 -165.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.436 ' N ' HG23 ' A' ' 60' ' ' VAL . 8.4 t80 -168.53 -177.57 3.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.8 t -121.41 146.9 46.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.01 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.84 -34.28 22.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.998 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 61.92 18.33 9.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -138.38 149.94 46.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.509 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 2.3 tt -81.4 134.2 51.98 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.3 Cg_endo -74.97 143.68 78.58 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 120.977 -2.51 . . . . 0.0 111.049 -0.033 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.2 Cg_endo -75.02 147.51 33.95 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.566 ' HG3' ' CE1' ' A' ' 71' ' ' PHE . 8.7 ptp180 176.72 173.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.874 ' CE2' HD23 ' A' ' 51' ' ' LEU . 22.4 m95 -94.88 127.43 40.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 108.023 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.566 ' CE1' ' HG3' ' A' ' 69' ' ' ARG . 4.4 m-30 -115.17 -176.11 2.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.501 ' CG ' ' O ' ' A' ' 72' ' ' MET . 3.3 ptp -101.63 71.19 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 72' ' ' MET . 1.0 OUTLIER 36.29 88.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.392 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.5 p . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.417 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.739 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.471 ' HB1' HD21 ' A' ' 54' ' ' LEU . . . -46.63 -40.25 12.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.73 -44.12 97.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.413 HD13 ' HA ' ' A' ' 18' ' ' ILE . 1.4 mm -73.85 -41.42 53.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 15' ' ' ASN . 39.4 t -59.49 -36.65 65.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.763 ' O ' HG22 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -68.75 -63.21 1.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 108.302 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -45.59 -29.31 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.07 -54.56 9.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.864 ' HA ' HD12 ' A' ' 26' ' ' ILE . 6.0 tt -53.87 -26.69 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.81 -49.57 17.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.24 -31.17 63.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.368 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.896 HD13 ' O ' ' A' ' 30' ' ' GLY . 46.5 mt -65.31 -100.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.503 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 139.82 -72.08 0.42 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 110.959 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.524 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -117.08 -29.56 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.771 . . . . 0.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 30' ' ' GLY . 0.4 OUTLIER -64.7 -9.77 22.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.233 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.896 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 36.16 -154.69 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.684 ' HB1' ' CD1' ' A' ' 36' ' ' LEU . . . -139.49 97.71 3.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 0.771 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.492 HG23 ' N ' ' A' ' 33' ' ' ALA . 15.2 t -82.88 -152.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.431 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.492 ' N ' HG23 ' A' ' 32' ' ' THR . . . -72.39 -73.48 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 35' ' ' GLN . . . -39.78 -48.88 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 34' ' ' ALA . 3.6 mm100 -38.39 -81.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.684 ' CD1' ' HB1' ' A' ' 31' ' ' ALA . 9.4 mp -46.03 -50.48 15.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.96 HG23 ' HA ' ' A' ' 42' ' ' MET . 25.9 m -47.86 -22.91 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.409 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.87 -45.88 8.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 -52.38 -29.34 23.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 110.267 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.726 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -110.18 -73.88 0.67 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.421 ' O ' ' HB3' ' A' ' 42' ' ' MET . 0.3 OUTLIER 176.18 -50.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.96 ' HA ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER 167.28 39.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.726 ' H ' HD12 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -91.68 55.4 2.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.763 ' HA ' HG22 ' A' ' 47' ' ' VAL . 19.2 tttt -45.95 -23.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.408 ' N ' ' C ' ' A' ' 43' ' ' GLU . 0.4 OUTLIER -68.5 -42.55 78.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.269 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.473 ' CG ' ' HB3' ' A' ' 43' ' ' GLU . 0.6 OUTLIER -77.42 -37.62 51.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.763 HG22 ' HA ' ' A' ' 44' ' ' LYS . 1.0 OUTLIER -73.95 -26.59 21.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 9.0 t30 -75.18 -51.77 12.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.66 -32.11 73.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.63 -43.08 49.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.941 HD22 ' CD2' ' A' ' 70' ' ' TRP . 29.9 mt -66.93 -34.9 78.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.508 ' CD2' ' N ' ' A' ' 53' ' ' ASP . 1.7 t80 -66.68 -58.39 5.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.508 ' N ' ' CD2' ' A' ' 52' ' ' TYR . 2.7 t0 -51.11 -51.56 52.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.471 HD21 ' HB1' ' A' ' 16' ' ' ALA . 21.4 mt -55.35 -40.94 71.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.462 ' O ' ' NE2' ' A' ' 55' ' ' GLN . 0.6 OUTLIER -58.57 -49.74 76.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -70.44 -17.74 63.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.682 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 25.1 t -86.33 -34.26 20.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 84.08 18.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.402 ' CG ' ' OG ' ' A' ' 57' ' ' SER . 0.0 OUTLIER -78.97 -24.86 43.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.989 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.403 ' CG1' HD13 ' A' ' 54' ' ' LEU . 33.2 m -120.08 -171.84 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.561 ' CZ ' ' C ' ' A' ' 74' ' ' THR . 15.9 t80 -135.14 168.87 18.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.37 138.68 47.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.17 -24.47 54.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.02 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 64.19 41.19 6.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -158.46 169.62 24.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.341 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.555 HD12 ' HD3' ' A' ' 68' ' ' PRO . 4.6 tp -103.36 132.64 20.9 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.531 ' HA ' HD12 ' A' ' 66' ' ' ILE . 18.2 Cg_endo -75.03 172.8 61.22 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.961 -2.516 . . . . 0.0 110.989 0.004 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.555 ' HD3' HD12 ' A' ' 66' ' ' ILE . 18.1 Cg_endo -74.99 107.54 2.51 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.775 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 -108.18 120.11 41.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.941 ' CD2' HD22 ' A' ' 51' ' ' LEU . 61.3 m95 -92.61 124.96 37.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 107.969 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.616 ' CA ' HD11 ' A' ' 23' ' ' ILE . 4.0 m-30 -115.58 -167.77 1.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.499 ' O ' ' C ' ' A' ' 73' ' ' THR . 0.0 OUTLIER -117.23 101.59 8.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.69 HG23 ' O ' ' A' ' 73' ' ' THR . 13.1 t 30.09 90.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.561 ' C ' ' CZ ' ' A' ' 61' ' ' TYR . 2.7 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.381 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.974 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.72 -40.23 9.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 18' ' ' ILE . 14.9 pt-20 -61.69 -44.06 97.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.346 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' A' ' 18' ' ' ILE . 19.8 mm -74.77 -31.78 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.974 HG23 ' O ' ' A' ' 15' ' ' ASN . 14.9 t -69.3 -31.91 51.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.582 ' HA ' HG22 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -82.14 -39.57 23.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 108.287 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -66.22 -34.68 78.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.45 -60.56 2.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.69 HG22 ' O ' ' A' ' 19' ' ' VAL . 11.5 tt -48.59 -38.62 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -66.07 -60.19 3.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -46.93 -28.98 1.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 110.419 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.631 HG21 ' N ' ' A' ' 30' ' ' GLY . 1.8 mm -67.31 -100.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.491 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 134.01 -66.96 0.56 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.115 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.409 HG13 ' N ' ' A' ' 29' ' ' GLU . 0.6 OUTLIER -116.77 -32.8 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.505 0.768 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.457 ' CB ' HG23 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -62.16 -12.19 18.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.347 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.631 ' N ' HG21 ' A' ' 26' ' ' ILE . . . 35.46 -153.17 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.8 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -118.75 82.52 1.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 0.738 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.34 149.79 25.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 110.394 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 36' ' ' LEU . . . -40.8 -63.84 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -38.68 -52.56 1.67 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.127 . . . . 0.0 109.352 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -43.0 99.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.8 HD11 ' HB1' ' A' ' 31' ' ' ALA . 2.2 mp -66.75 -10.68 49.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.75 HG23 ' HA ' ' A' ' 42' ' ' MET . 22.0 m -104.4 -21.59 13.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.396 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.41 -53.21 4.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.284 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.04 -28.08 3.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.695 HD21 ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -114.87 -95.68 0.46 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.496 ' O ' ' HB2' ' A' ' 42' ' ' MET . 0.3 OUTLIER -157.86 -56.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.75 ' HA ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER 172.35 40.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.965 ' O ' HG13 ' A' ' 47' ' ' VAL . 0.8 OUTLIER -79.47 48.6 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.769 ' HA ' HG22 ' A' ' 47' ' ' VAL . 17.4 tttt -51.08 -29.04 11.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -70.91 -44.44 66.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.403 ' HG3' ' HB3' ' A' ' 43' ' ' GLU . 0.9 OUTLIER -76.47 -40.93 48.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.965 HG13 ' O ' ' A' ' 43' ' ' GLU . 1.2 m -70.27 -26.34 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.544 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 4.3 t-20 -73.55 -59.55 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.242 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.51 -32.98 65.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.07 -49.61 35.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.85 HD23 ' CE2' ' A' ' 70' ' ' TRP . 6.2 mp -59.93 -31.34 69.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.541 ' CD2' ' N ' ' A' ' 53' ' ' ASP . 2.9 t80 -67.6 -64.99 0.75 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.035 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.541 ' N ' ' CD2' ' A' ' 52' ' ' TYR . 2.6 t0 -46.24 -45.31 17.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 54.4 mt -64.28 -37.61 88.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.571 1.169 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -59.23 -38.91 81.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -86.4 -16.9 35.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.684 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 49.2 m -83.57 -31.22 26.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.024 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.684 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 84.38 24.41 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.2 mmt -86.22 -17.69 34.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.3 m -141.04 158.33 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.514 ' CG ' ' HA ' ' A' ' 73' ' ' THR . 1.8 m-85 -125.37 -167.28 1.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.71 151.8 47.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.056 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.506 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -71.32 -34.39 70.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.039 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.506 ' CB ' ' O ' ' A' ' 63' ' ' SER . 6.3 t0 82.3 21.85 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.16 166.77 27.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.515 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 1.1 mp -96.08 139.53 21.83 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.4 Cg_endo -75.0 173.44 57.9 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.038 -0.024 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 116.99 4.76 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.513 1.796 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.8 mtp85 -128.85 142.3 51.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.85 ' CE2' HD23 ' A' ' 51' ' ' LEU . 25.1 m95 -91.9 120.79 32.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 108.035 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.575 ' C ' HD11 ' A' ' 23' ' ' ILE . 4.3 m-30 -109.3 -169.11 1.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.926 ' O ' HG22 ' A' ' 73' ' ' THR . 0.0 OUTLIER -113.2 97.84 6.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.926 HG22 ' O ' ' A' ' 72' ' ' MET . 9.2 t 56.11 156.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.352 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.706 HG22 ' O ' ' A' ' 73' ' ' THR . 15.0 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.383 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.5 t -175.22 -78.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.977 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.833 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -113.83 -31.99 6.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.49 -42.42 98.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.55 -40.0 92.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.0 mt -75.95 -32.76 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.241 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 15' ' ' ASN . 42.7 t -68.45 -36.54 75.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.438 ' HA ' HG22 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -75.42 -38.63 59.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 108.271 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.98 -29.65 68.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.45 -58.35 3.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.643 HD11 ' HG2' ' A' ' 72' ' ' MET . 0.0 OUTLIER -48.06 -46.63 12.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.35 -53.63 49.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -50.85 -25.25 4.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.647 HG21 ' HB3' ' A' ' 29' ' ' GLU . 85.6 mt -87.21 -100.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.557 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 155.57 -78.95 0.19 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.443 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.7 OUTLIER -113.09 -19.68 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.647 ' HB3' HG21 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -65.85 -9.26 27.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 29' ' ' GLU . . . 35.94 -155.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.501 1.126 . . . . 0.0 111.046 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.719 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -120.04 90.01 3.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.4 t -79.77 -172.48 3.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . -64.57 -73.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -38.66 -46.82 1.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -39.94 -81.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.719 HD11 ' HB1' ' A' ' 31' ' ' ALA . 9.8 mp -46.36 -51.15 15.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.752 HG23 ' HA ' ' A' ' 42' ' ' MET . 24.7 m -46.57 -23.55 0.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.147 . . . . 0.0 110.396 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.66 -40.34 10.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.35 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -58.04 -29.25 65.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.278 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.69 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -108.47 -75.29 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.466 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.3 OUTLIER 176.23 -47.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.752 ' HA ' HG23 ' A' ' 37' ' ' THR . 2.8 mtt 163.11 41.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.69 ' H ' HD12 ' A' ' 40' ' ' LEU . 3.3 mt-10 -90.01 55.52 3.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.339 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.547 ' HA ' HG12 ' A' ' 47' ' ' VAL . 23.7 mttt -54.17 -21.48 8.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -55.13 37.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.61 -36.31 44.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.726 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -64.45 -25.65 38.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.423 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 47.4 m-20 -82.05 -54.32 5.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -58.23 -32.98 68.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.12 -50.8 17.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.726 HD13 ' O ' ' A' ' 47' ' ' VAL . 5.8 mp -56.34 -35.22 67.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.262 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.42 ' CD2' ' N ' ' A' ' 53' ' ' ASP . 1.8 t80 -67.43 -54.43 20.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.42 ' N ' ' CD2' ' A' ' 52' ' ' TYR . 0.6 OUTLIER -55.94 -47.27 77.88 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.127 . . . . 0.0 109.256 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 54' ' ' LEU . 13.7 mt -64.71 -30.81 71.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -68.03 -34.87 77.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 110.255 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -87.32 -17.86 31.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.158 . . . . 0.0 110.345 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.715 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 20.0 p -79.07 -33.54 44.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.023 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 86.1 16.54 0.12 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.527 ' CG ' ' OG ' ' A' ' 57' ' ' SER . 4.9 mmt -78.4 -31.52 48.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.418 HG23 ' HE3' ' A' ' 70' ' ' TRP . 5.0 m -126.38 158.98 36.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.102 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.511 ' CD2' ' N ' ' A' ' 74' ' ' THR . 1.6 m-85 -124.75 -166.36 1.51 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.07 165.33 20.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.99 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.563 ' OG ' ' CZ ' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -79.16 -30.54 43.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.008 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 63' ' ' SER . 3.4 t0 80.36 29.71 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -166.22 162.39 17.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.751 HG23 ' HA ' ' A' ' 67' ' ' PRO . 12.4 mt -91.12 140.34 25.86 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.751 ' HA ' HG23 ' A' ' 66' ' ' ILE . 18.7 Cg_endo -74.96 170.4 71.91 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 121.018 -2.492 . . . . 0.0 111.006 -0.074 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 118.84 5.42 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.456 1.767 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.3 mtm-85 -127.05 131.14 51.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.284 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.636 ' NE1' HD23 ' A' ' 51' ' ' LEU . 76.5 m95 -82.63 120.78 25.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 107.981 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.563 ' CZ ' ' OG ' ' A' ' 63' ' ' SER . 7.2 m-30 -113.54 -169.68 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.912 ' O ' HG22 ' A' ' 73' ' ' THR . 0.3 OUTLIER -114.44 97.8 6.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.912 HG22 ' O ' ' A' ' 72' ' ' MET . 9.2 t 55.89 157.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.393 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.662 HG22 ' O ' ' A' ' 73' ' ' THR . 14.9 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.397 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.413 ' HA ' ' OE1' ' A' ' 17' ' ' GLU . 1.2 tpt85 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.445 ' N ' ' OE1' ' A' ' 17' ' ' GLU . 0.5 OUTLIER -176.61 -68.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.959 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.675 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -113.63 -53.8 2.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.512 ' HB1' HD21 ' A' ' 54' ' ' LEU . . . -41.65 -40.71 2.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.445 ' OE1' ' N ' ' A' ' 14' ' ' SER . 12.9 pt-20 -63.06 -45.97 89.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 15' ' ' ASN . 23.5 mt -72.41 -54.85 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 15' ' ' ASN . 18.8 t -44.62 -40.79 2.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.54 ' HA ' HG22 ' A' ' 23' ' ' ILE . 2.6 m -67.45 -65.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 108.3 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' CYS . 4.3 tt0 -39.05 -29.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 110.299 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 20' ' ' CYS . . . -75.31 -67.29 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.597 ' O ' HD13 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -51.31 -21.8 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -75.93 -51.18 13.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.332 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 m -56.58 -33.23 65.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.674 HG21 ' N ' ' A' ' 30' ' ' GLY . 42.6 mm -55.76 -100.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.508 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 137.25 -69.34 0.51 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.517 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -117.24 -31.82 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.76 . . . . 0.0 109.329 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.478 ' HB3' HG23 ' A' ' 26' ' ' ILE . 0.9 OUTLIER -65.61 -8.72 21.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.674 ' N ' HG21 ' A' ' 26' ' ' ILE . . . 36.56 -155.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.724 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -133.43 94.89 3.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 0.735 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.545 HG22 ' HG3' ' A' ' 35' ' ' GLN . 14.7 t -80.08 -157.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.358 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.431 ' N ' HG23 ' A' ' 32' ' ' THR . . . -79.18 -71.18 0.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -38.89 -50.05 1.7 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.551 ' NE2' ' O ' ' A' ' 30' ' ' GLY . 6.0 mt-30 -38.44 -78.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.724 HD11 ' HB1' ' A' ' 31' ' ' ALA . 9.6 mp -47.0 -49.2 21.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.899 HG23 ' HA ' ' A' ' 42' ' ' MET . 22.3 m -51.4 -20.05 1.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 110.405 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 35' ' ' GLN . 1.0 OUTLIER -94.1 -36.52 12.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -29.62 70.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.67 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -110.36 -66.12 1.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.431 ' O ' ' HB2' ' A' ' 42' ' ' MET . 0.3 OUTLIER 167.39 -57.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.899 ' HA ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER 175.94 36.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 111.016 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.67 ' H ' HD12 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -82.07 51.52 1.78 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.689 ' HA ' HG12 ' A' ' 47' ' ' VAL . 0.8 OUTLIER -51.79 -22.98 4.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.77 -50.82 65.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.436 ' CG ' ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -78.79 -35.18 44.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.689 HG12 ' HA ' ' A' ' 44' ' ' LYS . 0.4 OUTLIER -69.79 -24.88 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 14.1 t30 -81.11 -54.44 5.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.2 tttm -59.06 -33.25 70.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.73 -50.56 23.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.667 HD23 ' NE1' ' A' ' 70' ' ' TRP . 5.0 mp -57.22 -34.19 68.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.41 ' CD2' ' N ' ' A' ' 53' ' ' ASP . 1.8 t80 -67.49 -53.74 26.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.41 ' N ' ' CD2' ' A' ' 52' ' ' TYR . 1.3 t0 -56.97 -50.78 71.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.525 HD22 ' HB2' ' A' ' 59' ' ' MET . 31.4 mt -56.66 -38.88 72.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -60.32 -46.31 90.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -74.78 -16.54 60.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 110.303 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.69 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 19.2 m -85.46 -34.16 21.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.025 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 84.54 21.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.525 ' HB2' HD22 ' A' ' 54' ' ' LEU . 1.0 OUTLIER -80.02 -14.64 58.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 110.947 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.4 m -145.51 164.59 11.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.503 ' CG ' ' HA ' ' A' ' 73' ' ' THR . 1.9 m-85 -125.7 -167.12 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.964 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.0 t -127.03 158.62 36.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.148 . . . . 0.0 109.946 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.465 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 5.2 t -73.55 -33.64 64.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 63' ' ' SER . 1.1 t70 79.52 38.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -169.21 167.67 10.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.522 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 1.3 mp -99.48 137.21 20.26 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.1 Cg_endo -75.01 171.0 70.32 Favored 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.99 -2.504 . . . . 0.0 110.991 -0.064 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 131.92 14.88 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.793 . . . . 0.0 111.048 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.426 ' NH1' ' HG2' ' A' ' 67' ' ' PRO . 8.8 mtm-85 -138.53 138.87 38.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.667 ' NE1' HD23 ' A' ' 51' ' ' LEU . 61.9 m95 -89.63 120.68 31.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 108.0 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.517 ' CZ ' ' O ' ' A' ' 28' ' ' ILE . 4.3 m-30 -114.05 -169.44 1.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.43 ' C ' HG22 ' A' ' 73' ' ' THR . 2.1 ttp -115.59 101.19 8.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 111.025 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.503 ' HA ' ' CG ' ' A' ' 61' ' ' TYR . 1.6 t 40.51 72.14 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.369 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.7 t . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 110.388 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.406 ' N ' ' OE2' ' A' ' 17' ' ' GLU . 0.1 OUTLIER 172.84 -65.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.933 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.2 OUTLIER -113.38 -50.47 2.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.336 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.403 ' HB2' HD21 ' A' ' 54' ' ' LEU . . . -40.99 -33.29 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.422 ' CG ' ' N ' ' A' ' 18' ' ' ILE . 13.5 pt-20 -67.28 -49.89 62.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.458 HD13 ' HA ' ' A' ' 18' ' ' ILE . 14.5 mm -72.05 -42.44 67.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.476 ' O ' HG22 ' A' ' 23' ' ' ILE . 88.9 t -56.03 -43.85 76.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.595 ' HA ' HG22 ' A' ' 23' ' ' ILE . 22.7 t -68.58 -48.97 62.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 108.282 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -26.66 21.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.43 ' C ' ' N ' ' A' ' 24' ' ' LYS . . . -84.9 -69.03 0.68 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.821 ' O ' HD13 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -44.13 -27.55 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.43 ' N ' ' C ' ' A' ' 22' ' ' ALA . 0.9 OUTLIER -82.09 -55.8 4.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 m -51.12 -26.2 6.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.423 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.666 HD13 ' O ' ' A' ' 30' ' ' GLY . 72.2 mt -73.04 -100.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.523 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 148.76 -75.04 0.27 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.493 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.7 OUTLIER -112.91 -25.76 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 0.758 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.508 ' CB ' ' CG2' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -65.8 -9.32 27.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.265 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.666 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 36.24 -155.15 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.485 1.115 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.528 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -130.41 94.76 3.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 109.347 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.443 ' CB ' ' HG3' ' A' ' 69' ' ' ARG . 1.3 t -79.39 -179.18 6.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.395 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . -61.01 -67.07 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 35' ' ' GLN . . . -39.84 -50.38 2.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 34' ' ' ALA . 0.2 OUTLIER -37.17 -82.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.528 HD11 ' HB1' ' A' ' 31' ' ' ALA . 8.9 mp -44.78 -51.87 8.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.577 HG23 ' HA ' ' A' ' 42' ' ' MET . 5.3 m -44.41 -26.48 0.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.406 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.401 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -89.61 -45.84 9.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -51.83 -29.1 18.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.335 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.72 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -109.76 -78.21 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.466 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.2 OUTLIER 178.9 -47.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.577 ' HA ' HG23 ' A' ' 37' ' ' THR . 2.3 mtm 162.71 41.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.72 ' H ' HD12 ' A' ' 40' ' ' LEU . 2.3 mm-40 -83.26 52.94 2.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.683 ' HA ' HG12 ' A' ' 47' ' ' VAL . 5.9 tttp -45.06 -27.23 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.412 ' N ' ' C ' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -65.96 -49.03 69.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 110.305 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.495 ' OE1' ' CB ' ' A' ' 43' ' ' GLU . 4.3 pt-20 -77.31 -37.18 53.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.683 HG12 ' HA ' ' A' ' 44' ' ' LYS . 0.3 OUTLIER -68.1 -28.59 41.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.531 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 9.7 m-20 -75.27 -59.86 2.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -55.81 -29.56 59.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.03 -58.2 3.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.82 HD12 ' CE2' ' A' ' 70' ' ' TRP . 0.6 OUTLIER -49.69 -42.97 46.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.531 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 17.9 m-85 -62.2 -67.95 0.37 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -41.72 -50.19 4.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.403 HD21 ' HB2' ' A' ' 16' ' ' ALA . 15.2 mt -60.28 -41.77 94.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 52' ' ' TYR . 2.7 tp-100 -58.31 -49.82 75.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.256 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -70.75 -18.89 62.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.695 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 8.5 m -84.72 -32.7 23.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.973 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.695 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 84.98 21.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.73 -18.73 58.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.4 m -144.33 166.21 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.509 ' CG ' ' HA ' ' A' ' 73' ' ' THR . 1.9 m-85 -126.46 -169.24 1.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.6 141.45 49.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.507 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 1.0 OUTLIER -52.12 -39.8 60.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.004 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 63' ' ' SER . 1.5 t70 82.44 20.84 0.26 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.08 161.65 41.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.242 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.556 ' CG1' ' HA ' ' A' ' 67' ' ' PRO . 5.8 tt -92.95 135.92 25.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.556 ' HA ' ' CG1' ' A' ' 66' ' ' ILE . 18.2 Cg_endo -75.06 157.77 99.34 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.006 -2.497 . . . . 0.0 110.982 0.025 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 138.87 23.61 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 110.983 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.443 ' HG3' ' CB ' ' A' ' 32' ' ' THR . 1.3 mpt_? -148.75 141.23 24.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.82 ' CE2' HD12 ' A' ' 51' ' ' LEU . 86.5 m95 -82.74 117.85 22.95 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.501 ' CE1' ' HA3' ' A' ' 30' ' ' GLY . 6.4 m-30 -111.43 -170.12 1.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.526 ' CG ' ' O ' ' A' ' 72' ' ' MET . 1.8 ptt? -114.96 101.52 9.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.664 HG23 ' O ' ' A' ' 73' ' ' THR . 9.2 t 32.35 85.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.379 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.2 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.378 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.453 ' N ' ' OE2' ' A' ' 17' ' ' GLU . 0.2 OUTLIER 175.92 -61.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.995 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.955 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -113.11 -51.35 2.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.93 -38.49 3.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.453 ' OE2' ' N ' ' A' ' 14' ' ' SER . 13.8 pt-20 -64.05 -46.39 84.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.42 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 2.9 mm -71.52 -34.27 52.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.955 HG23 ' O ' ' A' ' 15' ' ' ASN . 8.7 t -66.65 -34.84 72.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.465 ' HA ' HG22 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -74.01 -40.79 62.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 108.276 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.42 -28.01 67.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.258 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.495 ' CB ' ' OE1' ' A' ' 39' ' ' GLN . . . -78.53 -60.9 2.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.787 HD11 ' C ' ' A' ' 71' ' ' PHE . 11.5 tt -46.89 -41.52 5.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.356 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -69.46 -50.98 40.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.71 -27.88 19.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.446 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.688 HD13 ' O ' ' A' ' 30' ' ' GLY . 67.6 mt -72.03 -101.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.623 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 151.56 -78.11 0.21 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.115 . . . . 0.0 110.969 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.518 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -116.31 -27.73 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -62.74 -11.87 20.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.688 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 33.97 -151.73 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.618 ' HB1' ' CD1' ' A' ' 36' ' ' LEU . . . -130.2 98.59 4.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 0.794 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.712 HG23 ' O ' ' A' ' 32' ' ' THR . 15.1 t -93.37 67.22 4.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.477 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . 64.12 -76.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.477 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -33.41 -53.54 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' ALA . 1.2 mm-40 -37.58 -71.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.618 ' CD1' ' HB1' ' A' ' 31' ' ' ALA . 9.7 mp -51.7 -45.69 63.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.821 HG23 ' HA ' ' A' ' 42' ' ' MET . 60.0 m -54.2 -19.21 4.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.39 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.6 mtt-85 -96.01 -33.95 11.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.143 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.495 ' OE1' ' CB ' ' A' ' 22' ' ' ALA . 0.6 OUTLIER -63.42 -29.09 70.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.765 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -109.83 -78.65 0.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.47 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.2 OUTLIER 179.77 -42.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.821 ' HA ' HG23 ' A' ' 37' ' ' THR . 3.9 mtt 162.97 41.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.941 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.765 ' H ' HD12 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -95.84 54.97 1.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.755 ' HA ' HG22 ' A' ' 47' ' ' VAL . 12.1 ttmt -49.21 -19.35 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.457 ' N ' ' C ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -67.97 -47.6 68.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 47' ' ' VAL . 0.2 OUTLIER -73.01 -36.37 66.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.24 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.755 HG22 ' HA ' ' A' ' 44' ' ' LYS . 1.0 OUTLIER -75.03 -25.86 18.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.549 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 21.6 m-20 -71.74 -56.73 5.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -62.68 -32.52 73.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.02 -42.23 66.6 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.564 ' HB3' ' CZ2' ' A' ' 70' ' ' TRP . 0.2 OUTLIER -64.8 -48.8 73.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.549 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 24.1 m-85 -55.86 -65.72 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -44.19 -54.52 5.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 54' ' ' LEU . 12.3 mt -56.94 -34.7 68.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -57.91 -49.19 77.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.337 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.72 -18.41 60.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.631 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 66.2 m -79.19 -29.28 42.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.965 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 79.36 10.32 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.9 tpt -70.64 -28.08 64.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 111.04 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.8 m -123.96 167.91 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.529 ' CD1' ' HA ' ' A' ' 73' ' ' THR . 1.8 m-85 -127.4 -170.33 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.6 t -137.46 168.37 19.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.03 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 t -80.23 -23.91 40.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.009 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 t0 73.99 22.1 2.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.23 168.62 25.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.649 HD12 ' HA ' ' A' ' 67' ' ' PRO . 1.2 tp -97.34 137.48 21.15 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.649 ' HA ' HD12 ' A' ' 66' ' ' ILE . 18.2 Cg_endo -75.02 172.22 64.13 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.019 -2.492 . . . . 0.0 110.959 0.042 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.596 ' HD3' HD12 ' A' ' 66' ' ' ILE . 18.2 Cg_endo -75.0 118.02 5.12 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.534 1.807 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -117.41 124.61 49.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.564 ' CZ2' ' HB3' ' A' ' 51' ' ' LEU . 66.3 m95 -82.86 118.29 23.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 108.037 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.787 ' C ' HD11 ' A' ' 23' ' ' ILE . 4.8 m-30 -114.85 -170.57 1.77 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.485 ' O ' HG22 ' A' ' 73' ' ' THR . 0.1 OUTLIER -119.17 99.95 7.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 111.055 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.529 ' HA ' ' CD1' ' A' ' 61' ' ' TYR . 4.6 t 45.36 54.43 7.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.392 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.479 HG22 ' HB3' ' A' ' 61' ' ' TYR . 15.2 t . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.409 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.4 t 178.69 -67.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.957 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.78 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -111.89 -50.06 2.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.44 -36.31 1.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -65.06 -47.46 77.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.455 ' HA ' HD13 ' A' ' 18' ' ' ILE . 16.8 mm -72.96 -27.62 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 15' ' ' ASN . 61.4 t -66.14 -45.25 90.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.581 ' HA ' HG22 ' A' ' 23' ' ' ILE . 14.0 p -73.1 -33.81 65.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 108.305 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -30.67 70.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.76 -61.11 2.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.872 ' HA ' HD12 ' A' ' 26' ' ' ILE . 8.5 tt -47.87 -39.82 8.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.69 -49.01 57.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.3 m -56.08 -27.72 54.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.384 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.982 HD13 ' O ' ' A' ' 30' ' ' GLY . 21.4 mt -72.72 -99.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.502 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 138.72 -69.43 0.49 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.444 1.09 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.52 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -115.48 -30.13 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 0.744 . . . . 0.0 109.325 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.427 ' C ' HG21 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -66.5 -8.47 26.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.982 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 36.6 -155.23 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -132.87 92.76 3.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 0.783 . . . . 0.0 109.248 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.606 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -80.0 174.29 11.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.394 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 36' ' ' LEU . . . -61.57 -62.03 2.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.1 -39.37 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -72.43 -41.67 65.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.719 ' O ' HD21 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -71.4 -6.85 43.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.251 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.884 HG23 ' HA ' ' A' ' 42' ' ' MET . 54.1 m -110.54 -21.94 11.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.07 -48.25 7.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -29.97 48.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.719 HD21 ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -107.73 -80.7 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.41 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.3 OUTLIER 179.62 -50.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.884 ' HA ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER 166.71 39.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.956 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.452 ' HB2' HD12 ' A' ' 40' ' ' LEU . 3.7 mp0 -88.18 53.94 2.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.538 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 20.8 tptt -56.4 -22.81 33.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -51.66 61.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -79.16 -34.55 43.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.538 HG13 HD12 ' A' ' 51' ' ' LEU . 1.0 OUTLIER -70.52 -23.63 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.538 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 5.3 t-20 -83.42 -48.08 10.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? -65.05 -33.3 75.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.8 -46.87 28.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.726 HD22 ' CD2' ' A' ' 70' ' ' TRP . 56.3 mt -65.19 -28.59 69.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.484 ' CE2' ' NH1' ' A' ' 56' ' ' ARG . 1.6 t80 -72.32 -50.52 26.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.409 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 0.9 OUTLIER -61.14 -40.2 92.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.1 mt -64.08 -43.58 95.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.49 -50.75 72.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.484 ' NH1' ' CE2' ' A' ' 52' ' ' TYR . 1.0 OUTLIER -71.55 -19.6 62.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.69 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 57.9 m -83.1 -31.75 27.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.028 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 84.56 18.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -78.24 -19.66 53.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.1 m -136.93 -157.58 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.409 ' CG ' ' N ' ' A' ' 62' ' ' SER . 5.7 t80 -174.33 -174.24 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.409 ' N ' ' CG ' ' A' ' 61' ' ' TYR . 0.1 OUTLIER -119.5 154.88 33.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.995 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.0 t -69.02 -16.08 63.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.1 t0 63.22 30.14 15.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -166.75 163.77 16.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.772 HG23 ' HA ' ' A' ' 67' ' ' PRO . 23.6 mt -89.55 141.13 28.44 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.772 ' HA ' HG23 ' A' ' 66' ' ' ILE . 18.4 Cg_endo -75.05 166.67 82.64 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 120.98 -2.508 . . . . 0.0 110.993 0.021 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 110.91 3.21 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.488 1.783 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.3 mtt180 -128.23 139.68 52.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.726 ' CD2' HD22 ' A' ' 51' ' ' LEU . 58.4 m95 -83.78 120.52 26.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 108.016 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.787 ' C ' HD11 ' A' ' 23' ' ' ILE . 4.3 m-30 -114.92 -173.52 2.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.495 ' O ' ' C ' ' A' ' 73' ' ' THR . 1.2 ptt? -109.18 76.0 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.683 HG23 ' O ' ' A' ' 73' ' ' THR . 12.0 t 30.27 68.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.373 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.4 t . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.396 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 169.66 -79.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 0.0 110.018 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 1.022 ' O ' HG23 ' A' ' 19' ' ' VAL . 24.5 t30 -103.49 -46.61 4.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.52 -42.32 2.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.4 ' C ' ' OE1' ' A' ' 17' ' ' GLU . 0.6 OUTLIER -71.04 -39.21 72.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.487 ' N ' ' O ' ' A' ' 15' ' ' ASN . 17.4 mm -69.62 -32.13 51.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 1.022 HG23 ' O ' ' A' ' 15' ' ' ASN . 2.6 t -71.08 -40.18 75.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.253 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.495 ' HA ' HG22 ' A' ' 23' ' ' ILE . 15.3 t -70.43 -37.73 74.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 108.31 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -68.47 -31.91 71.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.5 -59.81 2.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.815 ' HA ' HD12 ' A' ' 26' ' ' ILE . 11.5 tt -45.76 -46.02 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.368 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -66.16 -48.05 72.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -55.55 -25.09 35.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 110.401 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.815 HD12 ' HA ' ' A' ' 23' ' ' ILE . 23.0 mt -77.18 -100.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.507 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 151.71 -76.32 0.23 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.504 1.128 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.513 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.7 OUTLIER -113.01 -22.52 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.754 . . . . 0.0 109.296 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.695 ' HB3' HG21 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -64.93 -10.0 25.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.539 ' HA3' ' CD1' ' A' ' 71' ' ' PHE . . . 36.06 -154.58 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.118 . . . . 0.0 110.955 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.636 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -136.89 96.56 3.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 0.794 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.949 ' O ' HD13 ' A' ' 36' ' ' LEU . 7.3 t -80.37 -162.56 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.441 ' N ' HG23 ' A' ' 32' ' ' THR . . . -81.89 -59.31 2.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -37.44 -59.02 0.8 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.52 -45.32 73.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.137 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.949 HD13 ' O ' ' A' ' 32' ' ' THR . 7.3 mp -66.65 -9.91 40.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.967 HG23 ' HA ' ' A' ' 42' ' ' MET . 80.7 m -104.73 -17.71 14.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.368 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -92.32 -52.52 4.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.454 1.096 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.71 -30.14 5.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.332 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.737 HD21 ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -108.82 -80.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.422 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.3 OUTLIER -179.06 -51.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.967 ' HA ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER 165.97 39.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.989 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.604 ' H ' HD12 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -94.82 55.5 1.88 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 110.319 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.541 ' HA ' HG12 ' A' ' 47' ' ' VAL . 82.7 tttt -58.65 -18.4 30.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.2 mtt-85 -62.25 -54.7 36.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.253 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -76.12 -37.43 58.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.26 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.718 HG22 HD23 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -67.52 -24.21 30.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 3.5 t-20 -79.16 -54.67 5.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -59.75 -30.02 68.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.59 -44.75 41.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.764 HD11 HD22 ' A' ' 36' ' ' LEU . 32.9 mt -62.56 -42.49 99.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.49 ' CD1' ' O ' ' A' ' 48' ' ' ASN . 3.0 m-85 -64.41 -43.89 92.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -63.1 -49.99 72.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.489 ' HB3' HG23 ' A' ' 60' ' ' VAL . 12.5 mt -58.7 -44.85 90.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.0 -53.62 47.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -19.96 65.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.7 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 32.0 t -81.43 -29.23 33.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.008 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.7 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 86.0 31.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -96.61 -15.55 21.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.555 HG12 ' O ' ' A' ' 71' ' ' PHE . 2.1 t -143.65 167.8 12.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.519 ' CG ' ' HA ' ' A' ' 73' ' ' THR . 1.6 m-85 -129.08 -172.71 2.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -127.68 150.62 49.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.973 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.57 -29.79 59.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.98 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 68.75 20.83 8.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -139.91 167.87 21.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -100.38 137.11 19.89 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.55 ' HA ' HD12 ' A' ' 66' ' ' ILE . 18.3 Cg_endo -75.01 172.48 62.8 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.969 0.019 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.505 ' HD3' HD12 ' A' ' 66' ' ' ILE . 18.2 Cg_endo -75.01 120.1 5.92 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.493 1.786 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -135.99 141.48 44.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.644 ' CD2' HD22 ' A' ' 51' ' ' LEU . 22.0 m95 -90.23 128.41 36.38 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.771 ' C ' HD11 ' A' ' 23' ' ' ILE . 3.5 m-30 -116.28 -169.47 1.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.587 1.18 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.405 ' C ' HG22 ' A' ' 73' ' ' THR . 1.7 tpt -117.13 105.24 12.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.936 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.519 ' HA ' ' CG ' ' A' ' 61' ' ' TYR . 2.4 t 39.83 65.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.45 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.561 HG23 ' HD2' ' A' ' 71' ' ' PHE . 13.3 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.3 t 174.0 -82.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.969 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.985 ' O ' HG23 ' A' ' 19' ' ' VAL . 2.3 t-20 -113.08 -49.59 2.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -39.72 -52.03 2.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -62.04 -41.03 97.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.337 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' ASN . 22.0 mt -66.21 -36.63 77.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.985 HG23 ' O ' ' A' ' 15' ' ' ASN . 2.6 t -67.97 -33.4 61.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.472 ' HA ' HG22 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -74.99 -35.65 62.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 108.261 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -68.53 -32.64 72.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.19 -59.32 2.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.473 ' CD1' ' HG2' ' A' ' 72' ' ' MET . 0.0 OUTLIER -47.68 -44.59 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -61.58 -52.63 63.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -52.88 -26.2 14.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.406 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.642 HD11 HE22 ' A' ' 35' ' ' GLN . 84.7 mt -78.61 -101.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.577 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 153.31 -78.89 0.2 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.418 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -114.11 -22.38 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.474 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 1.9 tt0 -62.87 -11.28 17.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 29' ' ' GLU . . . 36.2 -155.1 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.461 1.1 . . . . 0.0 111.033 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.775 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -120.14 87.36 2.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 0.764 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 t -81.36 179.55 7.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.381 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . -56.08 -76.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 35' ' ' GLN . . . -38.93 -47.57 1.46 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.642 HE22 HD11 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -37.79 -78.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.293 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.775 HD11 ' HB1' ' A' ' 31' ' ' ALA . 10.4 mp -46.85 -49.16 20.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.939 HG23 ' HA ' ' A' ' 42' ' ' MET . 98.9 m -49.73 -21.81 1.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.424 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.3 -38.38 11.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -61.57 -30.41 70.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.256 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.656 HD11 ' CG1' ' A' ' 47' ' ' VAL . 0.1 OUTLIER -110.56 -69.62 0.86 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 37' ' ' THR . 0.3 OUTLIER 172.35 -56.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.939 ' HA ' HG23 ' A' ' 37' ' ' THR . 4.8 ttp 176.38 35.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.622 ' H ' HD12 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -87.35 51.88 2.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 110.266 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.767 ' HA ' HG22 ' A' ' 47' ' ' VAL . 13.5 ttmt -47.9 -21.74 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 46' ' ' GLU . 1.1 ptm180 -68.59 -39.31 80.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -81.54 -35.86 29.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.911 ' O ' HD13 ' A' ' 51' ' ' LEU . 1.0 OUTLIER -74.65 -26.44 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 11.9 t-20 -78.78 -53.75 6.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -60.28 -33.73 72.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.12 -39.55 60.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.249 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.911 HD13 ' O ' ' A' ' 47' ' ' VAL . 4.1 mp -63.78 -41.38 97.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.411 ' CD1' ' N ' ' A' ' 53' ' ' ASP . 1.3 t80 -65.72 -51.22 61.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.411 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 0.4 OUTLIER -58.63 -57.62 12.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.599 HD22 ' HB2' ' A' ' 59' ' ' MET . 13.1 mt -53.87 -38.88 65.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -61.77 -46.58 88.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.262 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.407 ' CD ' ' O ' ' A' ' 52' ' ' TYR . 0.5 OUTLIER -68.39 -20.9 64.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.701 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 43.1 t -83.15 -32.57 26.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.933 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 85.83 26.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.599 ' HB2' HD22 ' A' ' 54' ' ' LEU . 0.7 OUTLIER -87.59 -16.28 34.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 71' ' ' PHE . 1.1 t -137.55 164.97 27.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.515 ' CG ' ' HA ' ' A' ' 73' ' ' THR . 1.6 m-85 -128.19 -172.01 2.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.5 t -127.44 161.38 28.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.039 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -90.11 -8.14 52.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.996 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 51.96 43.19 30.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.357 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -164.03 166.44 21.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.494 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 22.6 mt -101.69 136.78 19.5 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.2 Cg_endo -75.03 173.4 58.11 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.963 -2.515 . . . . 0.0 110.975 0.031 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 108.41 2.71 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.486 1.782 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.427 ' NH1' ' HG2' ' A' ' 67' ' ' PRO . 6.9 mtt85 -114.84 119.93 38.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.571 ' NE1' HD23 ' A' ' 51' ' ' LEU . 57.5 m95 -79.05 122.67 26.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 108.021 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.586 ' O ' HG12 ' A' ' 60' ' ' VAL . 6.0 m-30 -113.47 -169.47 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.473 ' HG2' ' CD1' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -117.03 99.92 7.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.976 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.515 ' HA ' ' CG ' ' A' ' 61' ' ' TYR . 1.8 t 42.36 69.4 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.416 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.349 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.5 t -120.14 -94.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.015 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 1.044 ' O ' HG23 ' A' ' 19' ' ' VAL . 2.2 p30 -99.46 -50.99 3.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.79 -44.8 14.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.494 ' OE2' ' CD1' ' A' ' 18' ' ' ILE . 0.8 OUTLIER -61.57 -37.33 83.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.26 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.494 ' CD1' ' OE2' ' A' ' 17' ' ' GLU . 38.3 mm -78.15 -32.74 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 1.044 HG23 ' O ' ' A' ' 15' ' ' ASN . 3.4 t -70.63 -32.94 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.482 ' HA ' HG22 ' A' ' 23' ' ' ILE . 1.3 m -81.49 -40.03 23.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 108.29 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -68.19 -32.3 72.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 110.295 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.85 -61.01 2.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.735 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -48.85 -38.67 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -49.85 50.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.9 m -53.86 -26.39 24.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.929 HD13 ' O ' ' A' ' 30' ' ' GLY . 91.7 mt -68.11 -101.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.695 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 143.26 -76.98 0.29 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.454 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -119.2 -21.83 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.788 . . . . 0.0 109.323 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.745 ' HB3' HG23 ' A' ' 26' ' ' ILE . 7.2 tt0 -68.27 -6.15 22.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.929 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 35.81 -154.32 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.544 1.152 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.901 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -135.88 90.96 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.23 170.03 10.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.402 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . -43.84 -74.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 35' ' ' GLN . . . -38.12 -54.44 1.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -36.05 -80.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.901 HD11 ' HB1' ' A' ' 31' ' ' ALA . 9.5 mp -44.91 -52.27 8.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.864 HG23 ' HA ' ' A' ' 42' ' ' MET . 20.5 m -45.08 -24.98 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.403 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.407 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -91.42 -40.52 11.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.6 -29.64 66.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.731 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -113.69 -70.73 0.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.427 ' O ' ' HB2' ' A' ' 42' ' ' MET . 0.2 OUTLIER 172.67 -56.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.288 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.864 ' HA ' HG23 ' A' ' 37' ' ' THR . 0.2 OUTLIER 177.05 36.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.993 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.731 ' H ' HD12 ' A' ' 40' ' ' LEU . 5.7 tt0 -85.68 51.93 2.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.342 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.712 ' HA ' HG22 ' A' ' 47' ' ' VAL . 22.6 tttt -45.86 -23.46 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.446 ' N ' ' C ' ' A' ' 43' ' ' GLU . 2.6 mtm180 -67.74 -44.31 77.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 110.236 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 43' ' ' GLU . 0.8 OUTLIER -75.66 -37.58 59.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.712 HG22 ' HA ' ' A' ' 44' ' ' LYS . 1.0 OUTLIER -72.23 -27.47 26.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.558 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 3.3 m-20 -73.42 -58.74 3.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -60.25 -30.12 69.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 46' ' ' GLU . . . -75.2 -44.88 43.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.57 ' HB3' ' CZ2' ' A' ' 70' ' ' TRP . 0.2 OUTLIER -62.66 -42.02 99.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 109.323 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.558 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 24.8 m-85 -64.32 -67.02 0.47 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 111.045 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -43.01 -48.3 5.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.767 HD12 HG11 ' A' ' 19' ' ' VAL . 12.1 mt -63.07 -39.4 94.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' TYR . 2.5 tt0 -59.51 -51.05 71.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -69.53 -21.92 63.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.691 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 1.7 m -82.33 -30.22 30.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.041 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 85.36 23.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.457 ' CG ' ' HB3' ' A' ' 57' ' ' SER . 0.1 OUTLIER -83.68 -11.42 57.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.617 HG22 ' HB3' ' A' ' 54' ' ' LEU . 6.7 m -152.18 161.42 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.544 ' CD2' ' HA ' ' A' ' 73' ' ' THR . 1.9 m-85 -125.2 -167.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.4 t -126.47 160.35 30.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.989 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -86.23 -25.41 25.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.051 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 75.05 22.85 1.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -143.11 173.74 11.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.539 HD12 ' HA ' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -106.83 137.88 19.62 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.539 ' HA ' HD12 ' A' ' 66' ' ' ILE . 18.2 Cg_endo -75.0 173.14 59.46 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.996 0.053 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.465 ' HD3' HD12 ' A' ' 66' ' ' ILE . 18.3 Cg_endo -75.05 107.47 2.49 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.492 1.786 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.75 128.24 55.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.57 ' CZ2' ' HB3' ' A' ' 51' ' ' LEU . 59.1 m95 -82.0 125.42 30.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 108.008 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.507 ' CE1' ' HA3' ' A' ' 30' ' ' GLY . 3.8 m-30 -115.36 -169.12 1.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.477 ' HB2' ' CD1' ' A' ' 23' ' ' ILE . 1.0 OUTLIER -112.1 98.14 7.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 110.987 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.544 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 0.8 OUTLIER 37.22 87.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.5 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.392 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.408 ' HA ' ' OE1' ' A' ' 17' ' ' GLU . 2.9 tpt180 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.8 t -158.39 -74.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.989 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.999 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -113.71 -45.2 3.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.15 -37.5 22.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.408 ' OE1' ' HA ' ' A' ' 13' ' ' ARG . 25.8 pt-20 -64.76 -47.62 77.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.1 mm -70.25 -34.54 59.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.999 HG23 ' O ' ' A' ' 15' ' ' ASN . 21.4 t -67.84 -35.19 71.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.63 ' HA ' HG22 ' A' ' 23' ' ' ILE . 49.9 t -78.88 -34.61 44.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 108.287 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -65.83 -33.79 76.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.58 -60.81 2.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.827 ' HA ' HD12 ' A' ' 26' ' ' ILE . 17.6 tt -49.35 -39.82 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -69.67 -51.04 38.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.3 m -53.07 -27.14 18.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.36 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.827 HD12 ' HA ' ' A' ' 23' ' ' ILE . 13.3 mt -75.86 -100.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.453 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 144.04 -74.2 0.32 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.473 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -114.65 -23.51 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.759 . . . . 0.0 109.293 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.532 ' CB ' ' CG2' ' A' ' 26' ' ' ILE . 1.8 tt0 -67.53 -7.49 26.37 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.755 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 36.75 -155.63 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.49 ' O ' HD12 ' A' ' 36' ' ' LEU . . . -121.31 89.27 3.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.9 t -81.19 174.38 11.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.371 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' LEU . . . -55.38 -65.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.345 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -37.83 -61.8 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -55.26 -40.23 70.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.927 ' O ' HD21 ' A' ' 40' ' ' LEU . 2.3 mt -75.07 -2.51 27.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.778 HG23 ' HA ' ' A' ' 42' ' ' MET . 99.7 m -112.1 -15.0 13.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.431 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.18 -33.81 9.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -29.4 70.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.927 HD21 ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -104.23 -104.17 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.418 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.5 OUTLIER -161.54 25.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.778 ' HA ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER 75.4 41.88 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 111.023 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.511 ' H ' HD12 ' A' ' 40' ' ' LEU . 8.2 mm-40 -96.22 59.94 1.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.695 ' HA ' HG12 ' A' ' 47' ' ' VAL . 7.3 ttpt -45.35 -25.38 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.438 ' N ' ' C ' ' A' ' 43' ' ' GLU . 1.8 mtt85 -63.87 -51.32 65.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.421 ' HG2' ' CB ' ' A' ' 43' ' ' GLU . 7.9 pt-20 -76.07 -37.69 57.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.695 HG12 ' HA ' ' A' ' 44' ' ' LYS . 0.4 OUTLIER -67.81 -25.79 33.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.554 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 27.5 m-20 -76.88 -59.81 2.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -52.96 -32.78 47.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.59 -65.79 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.516 ' HG ' ' CE2' ' A' ' 70' ' ' TRP . 4.9 mp -41.43 -42.52 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.554 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 13.2 m-85 -61.98 -67.19 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -44.29 -48.71 9.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.884 HD13 ' SD ' ' A' ' 59' ' ' MET . 22.3 mt -58.64 -46.38 87.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -55.18 -38.99 69.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.26 -17.21 50.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.704 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 8.3 t -85.44 -36.76 20.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.021 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 86.05 22.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.884 ' SD ' HD13 ' A' ' 54' ' ' LEU . 1.1 ptm -80.78 -19.83 43.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.618 HG13 ' HE2' ' A' ' 59' ' ' MET . 34.8 m -135.34 163.72 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.523 ' CD2' ' HA ' ' A' ' 73' ' ' THR . 1.8 m-85 -125.37 -166.97 1.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 31.2 t -125.21 168.15 13.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.576 1.173 . . . . 0.0 109.979 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.591 ' OG ' ' CZ ' ' A' ' 71' ' ' PHE . 4.7 m -89.83 -28.84 19.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.995 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.4 ' CB ' ' O ' ' A' ' 63' ' ' SER . 2.7 m-20 75.47 42.35 0.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -170.23 177.56 4.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.732 HG23 ' HA ' ' A' ' 67' ' ' PRO . 5.1 mp -109.12 139.5 21.04 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.732 ' HA ' HG23 ' A' ' 66' ' ' ILE . 18.3 Cg_endo -74.96 173.46 57.74 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.059 -0.043 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 123.73 8.1 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.48 1.779 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 25.0 mtp85 -133.23 138.53 46.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.516 ' CE2' ' HG ' ' A' ' 51' ' ' LEU . 23.1 m95 -91.13 121.11 32.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 108.01 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.591 ' CZ ' ' OG ' ' A' ' 63' ' ' SER . 6.3 m-30 -108.1 -170.4 1.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 111.063 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.48 ' O ' ' C ' ' A' ' 73' ' ' THR . 1.4 ttp -116.53 95.08 4.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.97 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.682 HG23 ' O ' ' A' ' 73' ' ' THR . 12.9 t 32.24 89.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.392 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.9 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.399 179.942 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 171.91 -84.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.027 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.852 ' O ' HG23 ' A' ' 19' ' ' VAL . 13.8 t-20 -116.37 -45.11 2.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.02 -44.32 4.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.429 ' OE1' ' N ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -68.72 -36.96 79.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.46 ' N ' ' O ' ' A' ' 15' ' ' ASN . 14.5 mm -71.74 -49.04 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 15' ' ' ASN . 4.0 t -55.11 -41.45 59.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.592 ' HA ' HG22 ' A' ' 23' ' ' ILE . 17.3 t -68.82 -63.47 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 108.299 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -42.12 -27.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.42 ' N ' ' C ' ' A' ' 20' ' ' CYS . . . -78.97 -64.88 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.764 ' O ' HD13 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -54.17 -19.01 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.1 -44.07 13.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.88 -32.59 70.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.383 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.629 HG22 ' N ' ' A' ' 27' ' ' GLY . 6.7 mt -68.27 -101.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.629 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 155.11 -80.49 0.18 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.45 ' O ' HD12 ' A' ' 28' ' ' ILE . 0.7 OUTLIER -114.04 -18.82 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 0.794 . . . . 0.0 109.276 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.434 ' CB ' ' CG2' ' A' ' 26' ' ' ILE . 1.8 tt0 -67.97 -6.37 21.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.337 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.495 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 37.2 -155.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.724 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -124.4 87.61 2.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.458 ' O ' ' CD1' ' A' ' 36' ' ' LEU . 3.6 t -84.27 163.07 19.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.403 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . -53.33 -58.0 8.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -37.27 -65.7 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.79 -42.23 64.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.768 HD23 ' HB ' ' A' ' 47' ' ' VAL . 2.9 mp -66.03 -10.96 44.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.787 HG23 ' HA ' ' A' ' 42' ' ' MET . 92.9 m -107.05 -17.36 14.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 110.461 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.9 -51.63 4.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.07 -31.49 7.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.743 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -103.7 -77.98 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.481 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.3 OUTLIER 171.71 -40.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.787 ' HA ' HG23 ' A' ' 37' ' ' THR . 2.4 mtt 161.84 40.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.743 ' H ' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -92.98 53.21 1.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.34 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.734 ' HA ' HG22 ' A' ' 47' ' ' VAL . 2.1 tttt -53.34 -19.07 2.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -68.28 -48.49 64.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -71.49 -39.97 70.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.768 ' HB ' HD23 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -69.93 -28.37 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.597 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 2.7 m-20 -69.59 -56.09 8.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.02 -27.47 69.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.94 -37.25 48.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.945 HD22 ' CE2' ' A' ' 70' ' ' TRP . 24.3 mt -71.31 -41.0 70.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.597 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 28.9 m-85 -65.7 -58.68 5.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -51.8 -53.21 42.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.682 ' HB3' HG22 ' A' ' 60' ' ' VAL . 12.3 mt -57.62 -44.65 85.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.422 ' NE2' ' HD2' ' A' ' 56' ' ' ARG . 1.8 tt0 -51.5 -51.92 51.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.422 ' HD2' ' NE2' ' A' ' 55' ' ' GLN . 0.2 OUTLIER -72.37 -17.96 61.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.608 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 50.4 m -81.44 -28.38 34.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 78.39 15.03 1.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.356 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.409 ' HG3' HG13 ' A' ' 60' ' ' VAL . 1.5 tpp -77.22 -19.68 56.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.461 1.1 . . . . 0.0 111.034 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.682 HG22 ' HB3' ' A' ' 54' ' ' LEU . 15.4 m -136.52 157.78 37.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.537 ' CD2' ' HA ' ' A' ' 73' ' ' THR . 1.9 m-85 -125.66 -168.54 1.86 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 111.041 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.99 160.55 29.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.959 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 52.8 m -87.86 -14.82 38.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.994 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 60.47 25.11 14.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -147.88 169.5 19.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.231 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.739 HG23 ' HA ' ' A' ' 67' ' ' PRO . 4.9 mp -100.7 140.14 21.13 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.739 ' HA ' HG23 ' A' ' 66' ' ' ILE . 18.2 Cg_endo -75.01 172.51 62.68 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 121.021 -2.491 . . . . 0.0 111.025 0.004 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 108.81 2.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.522 1.801 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 48.2 mtt180 -124.17 135.16 53.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.945 ' CE2' HD22 ' A' ' 51' ' ' LEU . 51.8 m95 -87.6 122.27 31.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 108.001 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.47 ' CE1' ' HA3' ' A' ' 30' ' ' GLY . 5.9 m-30 -109.44 -169.24 1.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.577 ' HB3' HD12 ' A' ' 23' ' ' ILE . 5.7 ptm -114.06 97.2 6.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.966 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.651 HG23 ' O ' ' A' ' 73' ' ' THR . 9.8 t 32.73 89.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.391 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.0 p . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.371 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.44 ' N ' ' OE2' ' A' ' 17' ' ' GLU . 30.0 t -178.37 -65.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.97 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 1.002 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -112.32 -48.97 2.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.24 -37.38 4.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.44 ' OE2' ' N ' ' A' ' 14' ' ' SER . 13.2 pt-20 -65.88 -46.73 77.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.432 HD13 ' HA ' ' A' ' 18' ' ' ILE . 13.2 mm -70.87 -29.91 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 1.002 HG23 ' O ' ' A' ' 15' ' ' ASN . 15.6 t -68.98 -40.87 81.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.541 ' HA ' HG22 ' A' ' 23' ' ' ILE . 0.8 OUTLIER -75.06 -31.45 61.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 108.32 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -69.85 -42.27 73.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.26 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.38 -56.67 5.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.954 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -48.75 -41.8 12.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -68.19 -50.51 53.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -53.62 -28.41 32.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.422 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.954 HD12 ' HA ' ' A' ' 23' ' ' ILE . 44.5 mt -65.78 -100.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.657 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 138.47 -75.29 0.38 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.562 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -117.45 -26.0 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.781 ' HB3' HG23 ' A' ' 26' ' ' ILE . 1.3 tt0 -66.94 -5.26 11.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.584 1.178 . . . . 0.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.833 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 35.31 -154.43 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.832 ' HB1' HD12 ' A' ' 36' ' ' LEU . . . -142.47 96.34 2.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.567 HG23 ' N ' ' A' ' 33' ' ' ALA . 0.6 OUTLIER -79.28 -175.89 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.412 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.567 ' N ' HG23 ' A' ' 32' ' ' THR . . . -52.9 -77.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.49 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -33.42 -58.53 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -36.31 -85.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.085 . . . . 0.0 110.263 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.832 HD12 ' HB1' ' A' ' 31' ' ' ALA . 1.5 mp -43.76 -54.85 4.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.2 m -42.22 -25.54 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.399 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.422 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -91.33 -40.26 11.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 36' ' ' LEU . 1.7 mp0 -50.29 -28.37 7.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.772 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -100.98 -105.16 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.436 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.3 OUTLIER -163.86 25.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.253 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.436 ' CB ' ' O ' ' A' ' 41' ' ' ASN . 1.9 ttt 76.81 51.88 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.772 ' H ' HD12 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -110.95 69.38 0.68 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.684 ' HA ' HG12 ' A' ' 47' ' ' VAL . 10.2 tttt -40.6 -28.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -64.39 -48.97 73.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.603 ' CG ' HD13 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -78.16 -35.17 49.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.322 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.728 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -70.67 -25.24 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.574 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 23.4 m-20 -79.23 -56.3 4.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.238 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -58.98 -31.81 69.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.18 -52.95 12.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.784 HD11 HD22 ' A' ' 36' ' ' LEU . 5.6 mp -53.98 -45.96 71.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.574 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 19.5 m-85 -59.68 -67.43 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.55 -50.76 5.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.432 HD11 HG11 ' A' ' 19' ' ' VAL . 11.1 mt -53.8 -41.12 66.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.125 . . . . 0.0 109.352 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 52' ' ' TYR . 30.0 tt0 -66.05 -56.97 8.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.261 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -53.07 -23.47 7.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 110.303 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.739 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 1.5 p -88.96 -37.3 15.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.971 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.739 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 89.14 15.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -62.79 -24.29 67.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.428 HG23 ' HE3' ' A' ' 70' ' ' TRP . 13.7 m -137.34 167.79 22.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.539 ' CD2' ' HA ' ' A' ' 73' ' ' THR . 1.9 m-85 -125.26 -167.46 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.2 t -133.78 148.58 51.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.426 ' C ' ' N ' ' A' ' 65' ' ' ASP . 22.6 t -83.2 -11.14 58.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 t0 45.63 26.29 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.426 ' N ' ' C ' ' A' ' 63' ' ' SER . 0.8 OUTLIER -151.25 170.14 20.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.985 HD12 ' HD3' ' A' ' 68' ' ' PRO . 0.7 OUTLIER -89.15 138.03 29.14 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.3 Cg_endo -74.98 149.71 94.29 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.015 -0.047 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.985 ' HD3' HD12 ' A' ' 66' ' ' ILE . 18.4 Cg_endo -75.0 107.98 2.61 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.546 1.814 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.473 ' HB3' ' CB ' ' A' ' 32' ' ' THR . 0.0 OUTLIER -144.67 -176.74 5.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.497 ' CE2' ' HG ' ' A' ' 51' ' ' LEU . 7.7 m95 -109.04 133.7 52.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 108.044 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.562 ' CZ ' ' O ' ' A' ' 28' ' ' ILE . 2.5 m-30 -117.66 -168.76 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.466 ' HB2' ' CD1' ' A' ' 23' ' ' ILE . 36.8 ttp -114.89 98.14 6.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 111.055 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.539 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 0.7 OUTLIER 38.19 85.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.356 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.5 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 110.406 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.415 ' CD ' ' OE1' ' A' ' 17' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.16 -64.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.022 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.832 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -112.68 -51.61 2.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.43 -35.24 0.98 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 18' ' ' ILE . 23.9 pt-20 -63.85 -46.72 83.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 15' ' ' ASN . 24.9 mt -73.97 -29.91 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 15' ' ' ASN . 17.3 t -68.33 -38.98 80.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.55 ' HA ' HG22 ' A' ' 23' ' ' ILE . 5.3 t -75.63 -34.56 60.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 108.289 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -68.17 -32.97 73.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.04 -61.01 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.876 ' HA ' HD12 ' A' ' 26' ' ' ILE . 12.2 tt -46.15 -43.2 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -66.08 -50.47 64.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -53.51 -25.8 18.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.454 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.876 HD12 ' HA ' ' A' ' 23' ' ' ILE . 42.0 mt -73.85 -100.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.528 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 141.28 -72.62 0.4 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.481 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.7 OUTLIER -118.83 -31.11 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.265 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.568 ' HB3' HG23 ' A' ' 26' ' ' ILE . 2.5 tp10 -63.56 -9.78 14.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.254 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.868 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 36.28 -154.62 0.01 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.882 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -124.72 89.16 3.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.52 ' O ' HD13 ' A' ' 36' ' ' LEU . 2.5 t -86.23 160.42 19.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.387 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 36' ' ' LEU . . . -51.7 -63.39 1.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -38.18 -53.78 1.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -56.53 -46.89 80.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.882 HD11 ' HB1' ' A' ' 31' ' ' ALA . 9.7 mp -69.64 -6.59 32.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.994 HG23 ' HA ' ' A' ' 42' ' ' MET . 52.1 m -106.66 -15.71 14.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 110.412 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.49 -51.64 4.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.402 ' HB3' HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -50.35 -35.52 28.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.313 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.693 HD21 ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -102.88 -77.5 0.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.447 ' O ' ' HB2' ' A' ' 42' ' ' MET . 0.3 OUTLIER 179.29 -56.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.994 ' HA ' HG23 ' A' ' 37' ' ' THR . 1.9 ttt 175.96 36.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.69 ' O ' HG13 ' A' ' 47' ' ' VAL . 1.2 mm-40 -85.33 50.94 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.263 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.754 ' HA ' HG22 ' A' ' 47' ' ' VAL . 13.3 ttpt -54.99 -17.29 3.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.1 ttm-85 -68.74 -46.53 68.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -74.34 -39.0 63.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.266 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.799 ' HB ' HD23 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -72.29 -25.91 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 7.3 t30 -73.21 -62.94 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.4 tptt -54.33 -37.98 65.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.0 -53.14 42.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.575 ' HB3' ' CZ2' ' A' ' 70' ' ' TRP . 0.5 OUTLIER -54.81 -65.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 109.258 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.407 ' O ' ' N ' ' A' ' 55' ' ' GLN . 0.6 OUTLIER -38.75 -63.07 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -44.13 -53.31 6.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.728 ' HB3' HG22 ' A' ' 60' ' ' VAL . 24.0 mt -55.08 -39.24 69.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 52' ' ' TYR . 29.5 tt0 -59.57 -47.53 85.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.23 -17.96 61.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.696 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 19.5 m -86.99 -33.36 19.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 84.34 22.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.412 ' CG ' ' HB3' ' A' ' 57' ' ' SER . 0.7 OUTLIER -85.6 -10.23 56.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.728 HG22 ' HB3' ' A' ' 54' ' ' LEU . 21.1 m -144.54 171.07 7.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.539 ' CD1' ' HA ' ' A' ' 73' ' ' THR . 11.1 m-85 -134.13 -174.64 3.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.5 t -120.21 164.17 16.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.989 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.9 m -89.68 -17.49 28.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.022 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 60.21 22.56 11.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.249 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -141.84 168.41 19.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.646 HD12 ' HA ' ' A' ' 67' ' ' PRO . 3.1 tp -104.57 135.28 19.34 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.646 ' HA ' HD12 ' A' ' 66' ' ' ILE . 18.3 Cg_endo -75.0 172.85 60.95 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.009 -0.021 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.637 ' HD3' HD12 ' A' ' 66' ' ' ILE . 18.4 Cg_endo -74.98 113.8 3.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.475 1.776 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 63.7 mtm-85 -121.46 126.41 49.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.575 ' CZ2' ' HB3' ' A' ' 51' ' ' LEU . 49.3 m95 -79.5 122.86 26.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 107.995 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.86 ' C ' HD11 ' A' ' 23' ' ' ILE . 5.5 m-30 -112.55 -170.97 1.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.416 ' O ' ' C ' ' A' ' 73' ' ' THR . 0.9 OUTLIER -118.47 106.45 12.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.692 ' O ' HG22 ' A' ' 73' ' ' THR . 0.7 OUTLIER 37.07 91.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.382 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.414 HG21 ' HD2' ' A' ' 71' ' ' PHE . 42.4 p . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.436 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 170.91 -81.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.566 1.166 . . . . 0.0 109.972 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.966 ' O ' HG23 ' A' ' 19' ' ' VAL . 13.7 t-20 -112.63 -46.06 3.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 1.01 ' HB1' HD21 ' A' ' 54' ' ' LEU . . . -41.42 -43.88 2.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.402 ' C ' ' OE1' ' A' ' 17' ' ' GLU . 0.7 OUTLIER -68.86 -39.9 79.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.35 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 15' ' ' ASN . 13.8 mm -68.42 -35.76 72.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.966 HG23 ' O ' ' A' ' 15' ' ' ASN . 2.7 t -66.95 -40.89 86.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.469 ' HA ' HG22 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -66.51 -40.37 89.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 108.291 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.19 -33.19 75.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.03 -62.42 1.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.591 HD11 ' CA ' ' A' ' 71' ' ' PHE . 2.5 tt -44.65 -38.57 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.56 -46.81 68.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.8 m -59.3 -28.3 66.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.651 HG21 ' N ' ' A' ' 30' ' ' GLY . 20.5 mm -60.57 -96.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.54 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 140.7 -71.15 0.43 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.932 HD13 ' N ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -119.68 -31.78 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.932 ' N ' HD13 ' A' ' 28' ' ' ILE . 1.2 tp10 -63.99 -11.09 25.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.651 ' N ' HG21 ' A' ' 26' ' ' ILE . . . 35.49 -154.13 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.511 1.132 . . . . 0.0 110.949 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.968 ' HB1' ' CD1' ' A' ' 36' ' ' LEU . . . -129.97 89.83 2.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 0.751 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.547 HG23 ' N ' ' A' ' 33' ' ' ALA . 6.2 t -81.33 -159.19 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.42 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.547 ' N ' HG23 ' A' ' 32' ' ' THR . . . -69.07 -75.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 35' ' ' GLN . . . -36.61 -58.56 0.72 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 34' ' ' ALA . 5.1 mm100 -34.71 -84.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.346 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.968 ' CD1' ' HB1' ' A' ' 31' ' ' ALA . 2.9 mp -44.39 -53.34 6.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.466 ' CG2' ' HA ' ' A' ' 42' ' ' MET . 19.4 m -42.83 -25.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.4 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.421 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -91.86 -41.39 10.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 36' ' ' LEU . 2.8 mp0 -51.66 -29.75 19.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.74 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -102.4 -104.67 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.423 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.4 OUTLIER -162.78 25.34 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.466 ' HA ' ' CG2' ' A' ' 37' ' ' THR . 8.6 ttm 76.21 51.87 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.74 ' H ' HD12 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -108.87 68.25 0.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.261 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.696 ' HA ' HG12 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -40.5 -29.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.257 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.452 ' N ' ' C ' ' A' ' 43' ' ' GLU . 1.2 mtm-85 -63.41 -49.14 74.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.343 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 43' ' ' GLU . 6.7 pt-20 -80.6 -36.25 33.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.696 HG12 ' HA ' ' A' ' 44' ' ' LYS . 0.4 OUTLIER -67.76 -25.35 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 32.7 t-20 -83.99 -47.44 10.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.21 -30.96 71.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.74 -52.08 9.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.877 HD13 ' NE1' ' A' ' 70' ' ' TRP . 13.4 mt -58.63 -33.59 70.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.529 ' CD2' ' N ' ' A' ' 53' ' ' ASP . 3.2 t80 -69.85 -62.37 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.529 ' N ' ' CD2' ' A' ' 52' ' ' TYR . 0.4 OUTLIER -49.55 -42.39 43.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 1.01 HD21 ' HB1' ' A' ' 16' ' ' ALA . 13.7 mt -65.04 -38.74 91.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -61.16 -42.84 99.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.332 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -80.46 -17.65 51.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.693 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 65.1 m -80.42 -31.53 37.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 83.69 16.64 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.435 ' HB2' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -76.66 -20.29 56.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 111.035 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.5 m -140.7 178.24 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.553 ' CD1' ' HA ' ' A' ' 73' ' ' THR . 15.6 m-85 -138.44 -179.61 5.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.66 154.73 33.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.039 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.0 t -81.01 -17.77 49.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 59.64 27.79 17.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -148.27 167.25 25.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.564 ' CG1' ' HA ' ' A' ' 67' ' ' PRO . 8.4 tt -102.52 135.95 19.44 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.564 ' HA ' ' CG1' ' A' ' 66' ' ' ILE . 18.3 Cg_endo -74.98 169.46 74.5 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.991 -2.504 . . . . 0.0 110.973 -0.043 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 117.11 4.78 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.515 1.797 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.41 ' NH1' ' HD2' ' A' ' 67' ' ' PRO . 8.3 mtm-85 -128.27 129.18 45.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.877 ' NE1' HD13 ' A' ' 51' ' ' LEU . 49.8 m95 -83.19 121.78 27.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 107.979 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.591 ' CA ' HD11 ' A' ' 23' ' ' ILE . 3.7 m-30 -115.73 175.98 5.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.496 ' HE1' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -100.23 109.99 22.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.674 ' O ' HG22 ' A' ' 73' ' ' THR . 0.8 OUTLIER 37.2 90.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.375 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.3 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.404 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.6 t 175.5 -92.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.012 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 1.01 ' O ' HG23 ' A' ' 19' ' ' VAL . 17.7 t30 -108.76 -45.58 3.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.54 -45.64 3.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.65 -38.62 80.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.239 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 15' ' ' ASN . 18.1 mt -69.33 -32.3 52.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 1.01 HG23 ' O ' ' A' ' 15' ' ' ASN . 2.8 t -70.97 -39.77 75.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.493 ' HA ' HG22 ' A' ' 23' ' ' ILE . 1.7 m -69.71 -34.32 73.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 108.335 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.91 -37.63 76.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.7 -56.35 7.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.547 HG22 ' O ' ' A' ' 19' ' ' VAL . 4.3 tt -51.15 -42.95 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.6 -51.25 70.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 m -60.47 -24.5 65.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.393 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.64 HG21 ' N ' ' A' ' 30' ' ' GLY . 2.1 mm -74.77 -100.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.508 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 136.22 -69.18 0.52 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.543 1.152 . . . . 0.0 111.022 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.536 ' C ' HD12 ' A' ' 28' ' ' ILE . 0.5 OUTLIER -116.39 -31.79 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 0.786 . . . . 0.0 109.343 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.492 ' HB3' HG23 ' A' ' 26' ' ' ILE . 1.5 tt0 -64.96 -8.84 17.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.64 ' N ' HG21 ' A' ' 26' ' ' ILE . . . 36.42 -155.69 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.438 1.086 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 1.027 ' HB1' ' CD1' ' A' ' 36' ' ' LEU . . . -116.44 91.82 3.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.432 ' HB ' ' CZ ' ' A' ' 69' ' ' ARG . 1.6 t -79.42 -175.54 4.78 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 110.395 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.405 ' N ' HG23 ' A' ' 32' ' ' THR . . . -57.14 -73.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -39.5 -51.01 2.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.483 ' NE2' ' O ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -38.12 -84.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.027 ' CD1' ' HB1' ' A' ' 31' ' ' ALA . 6.6 mp -48.08 -52.15 21.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.652 HG23 ' HA ' ' A' ' 42' ' ' MET . 13.3 m -42.22 -25.37 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 110.429 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.433 ' N ' ' C ' ' A' ' 36' ' ' LEU . 25.6 mtp85 -93.37 -38.98 11.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.249 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -53.12 -31.63 43.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.704 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -97.48 -103.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.447 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.3 OUTLIER -160.52 24.57 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.652 ' HA ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER 77.92 39.52 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 110.933 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.704 ' H ' HD12 ' A' ' 40' ' ' LEU . 9.0 mm-40 -98.65 64.34 1.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.341 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.629 ' HA ' HG12 ' A' ' 47' ' ' VAL . 27.1 tttt -39.53 -29.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.458 ' N ' ' C ' ' A' ' 43' ' ' GLU . 8.8 mtt-85 -60.77 -51.37 69.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.36 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.5 ' CG ' HD13 ' A' ' 40' ' ' LEU . 7.0 pt-20 -75.67 -37.31 59.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.802 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -66.58 -27.8 41.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 4.0 m-20 -75.97 -63.16 1.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.96 -27.82 46.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.437 ' CB ' ' O ' ' A' ' 46' ' ' GLU . . . -77.71 -45.4 24.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.843 HD11 HD22 ' A' ' 36' ' ' LEU . 4.6 mp -60.62 -39.97 90.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -67.16 -59.06 3.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.38 -45.63 35.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.413 HD22 ' HB2' ' A' ' 59' ' ' MET . 13.5 mt -66.6 -35.46 80.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -61.44 -43.76 98.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.449 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 0.5 OUTLIER -82.26 -17.27 46.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.32 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.667 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 21.6 t -77.9 -30.88 50.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 82.11 18.32 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.413 ' HB2' HD22 ' A' ' 54' ' ' LEU . 0.8 OUTLIER -79.87 -20.6 45.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.447 HG23 ' HE3' ' A' ' 70' ' ' TRP . 8.8 m -143.03 164.07 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.526 ' CD2' ' N ' ' A' ' 74' ' ' THR . 1.9 m-85 -126.05 -169.01 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.67 164.05 21.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.953 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.2 t -89.45 -14.78 34.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.007 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.8 t70 54.43 42.03 31.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -169.8 157.69 7.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.77 HG23 ' HA ' ' A' ' 67' ' ' PRO . 4.7 mp -91.9 140.54 24.86 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.77 ' HA ' HG23 ' A' ' 66' ' ' ILE . 18.3 Cg_endo -75.04 170.2 72.5 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.047 -2.48 . . . . 0.0 110.983 0.003 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 135.84 19.52 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 0.0 110.989 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.432 ' CZ ' ' HB ' ' A' ' 32' ' ' THR . 1.6 mtp85 -154.46 135.28 13.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.522 ' CE2' ' HG ' ' A' ' 51' ' ' LEU . 28.7 m95 -87.52 123.07 32.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 108.016 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.52 ' CZ ' ' O ' ' A' ' 28' ' ' ILE . 8.3 m-30 -112.74 -169.25 1.44 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.482 ' O ' HG22 ' A' ' 73' ' ' THR . 7.8 ttp -111.71 99.54 8.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.701 ' O ' HG22 ' A' ' 74' ' ' THR . 0.6 OUTLIER 57.87 156.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.411 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.701 HG22 ' O ' ' A' ' 73' ' ' THR . 15.1 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.403 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.523 ' CD ' ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.3 t 167.26 -98.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.959 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.501 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -114.97 -35.34 4.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 109.274 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.5 -38.21 63.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.245 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 18' ' ' ILE . 26.7 pt-20 -62.33 -45.92 91.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.436 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 5.3 mt -74.64 -38.93 46.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.647 ' O ' HG22 ' A' ' 23' ' ' ILE . 55.7 t -63.52 -29.67 47.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.545 ' HA ' HG22 ' A' ' 23' ' ' ILE . 1.7 m -80.51 -39.09 28.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 108.31 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.06 -35.33 80.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.41 -61.58 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.647 HG22 ' O ' ' A' ' 19' ' ' VAL . 15.2 tt -46.3 -37.72 3.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.359 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -67.74 -50.82 55.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.4 m -55.16 -25.46 32.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.447 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.621 HG21 ' N ' ' A' ' 30' ' ' GLY . 4.2 mm -68.43 -100.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.5 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 136.36 -68.9 0.52 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.541 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -116.58 -31.7 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.775 . . . . 0.0 109.348 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 30' ' ' GLY . 0.7 OUTLIER -64.02 -10.54 22.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.621 ' N ' HG21 ' A' ' 26' ' ' ILE . . . 36.84 -156.12 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.58 ' O ' HD12 ' A' ' 36' ' ' LEU . . . -130.84 95.66 3.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 0.719 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.451 ' HG1' ' HG2' ' A' ' 69' ' ' ARG . 1.1 t -79.83 160.25 26.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.422 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' LEU . . . -41.5 -67.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -37.78 -61.23 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -54.97 -40.69 70.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.989 ' O ' HD21 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -74.17 -3.64 30.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.662 HG23 ' HA ' ' A' ' 42' ' ' MET . 54.1 m -112.68 -12.97 13.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.347 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.56 -34.96 8.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -29.47 66.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.989 HD21 ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -100.6 -103.16 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -161.85 25.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.662 ' HA ' HG23 ' A' ' 37' ' ' THR . 30.0 mtp 73.2 46.89 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.052 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 46' ' ' GLU . 1.0 OUTLIER -98.19 61.0 1.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.15 . . . . 0.0 110.336 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.726 ' HA ' HG12 ' A' ' 47' ' ' VAL . 3.2 ttmm -41.78 -28.34 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.249 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.433 ' N ' ' C ' ' A' ' 43' ' ' GLU . 72.5 mtm-85 -65.01 -48.96 72.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 43' ' ' GLU . 10.9 pt-20 -79.83 -36.48 36.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.804 HG21 ' O ' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -69.35 -24.3 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 14.2 t-20 -81.68 -55.54 4.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.85 -31.91 65.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.94 -61.59 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.706 HD13 ' O ' ' A' ' 47' ' ' VAL . 6.4 mp -43.06 -37.27 1.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.53 ' CD2' ' N ' ' A' ' 53' ' ' ASP . 3.1 t80 -69.36 -62.88 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.53 ' N ' ' CD2' ' A' ' 52' ' ' TYR . 3.8 t0 -45.68 -48.39 15.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 58' ' ' ALA . 48.8 mt -59.38 -48.33 82.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -55.09 25.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.454 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 9.4 mpt_? -67.2 -18.29 65.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.652 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 34.0 m -85.41 -33.23 22.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.02 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 82.03 5.84 1.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.338 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.4 tpt -61.93 -29.01 69.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.9 m -125.73 164.19 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.529 ' CD2' ' HA ' ' A' ' 73' ' ' THR . 1.5 m-85 -124.9 -166.54 1.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 t -130.69 173.41 10.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.986 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 7.7 t -89.62 -38.58 13.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 63' ' ' SER . 6.1 t0 81.99 25.64 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -153.13 170.19 21.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.274 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.527 ' CG1' ' HA ' ' A' ' 67' ' ' PRO . 8.8 tt -106.85 134.87 19.66 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.527 ' HA ' ' CG1' ' A' ' 66' ' ' ILE . 18.3 Cg_endo -74.96 159.62 97.74 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.008 -0.012 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 147.69 34.43 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.539 1.81 . . . . 0.0 111.037 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.451 ' HG2' ' HG1' ' A' ' 32' ' ' THR . 48.0 mtt85 -151.61 141.86 22.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.453 ' CE2' ' HG ' ' A' ' 51' ' ' LEU . 37.9 m95 -86.5 119.29 26.6 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.562 ' CD1' ' HA3' ' A' ' 30' ' ' GLY . 5.5 m-30 -109.93 -170.13 1.59 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' THR . 9.9 tmm? -118.77 92.42 3.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.529 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 0.5 OUTLIER 37.45 90.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 110.396 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.4 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.424 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.7 t 178.51 -88.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.994 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 1.001 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -112.39 -37.63 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.74 -43.91 38.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.107 . . . . 0.0 109.266 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -39.04 88.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.3 mt -74.46 -39.17 47.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.423 1.077 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 1.001 HG23 ' O ' ' A' ' 15' ' ' ASN . 3.9 t -64.6 -34.53 70.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.584 ' HA ' HG22 ' A' ' 23' ' ' ILE . 46.8 t -72.17 -42.95 65.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 108.297 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -59.79 -36.12 76.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.98 -65.45 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.727 ' O ' HD13 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -47.49 -31.9 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 20' ' ' CYS . 9.0 tttp -70.28 -52.33 23.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.1 m -54.35 -28.56 43.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 110.368 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.54 HG22 ' N ' ' A' ' 27' ' ' GLY . 21.1 mm -61.24 -98.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.54 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 148.64 -75.99 0.26 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.57 1.169 . . . . 0.0 111.039 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.495 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -116.89 -26.24 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 109.343 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.465 ' H ' HD13 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -66.55 -8.49 27.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.499 ' HA3' ' CE1' ' A' ' 71' ' ' PHE . . . 36.42 -155.25 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.449 1.093 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.485 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -126.17 94.83 4.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 0.752 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.57 HG23 ' N ' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -80.79 174.55 11.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 110.408 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.57 ' N ' HG23 ' A' ' 32' ' ' THR . . . -55.2 -67.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 35' ' ' GLN . . . -37.93 -56.16 1.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 30' ' ' GLY . 3.1 mt-30 -35.7 -75.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.516 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 9.5 mp -47.61 -48.59 28.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.414 1.071 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.903 HG23 ' HA ' ' A' ' 42' ' ' MET . 37.4 m -51.82 -20.59 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.397 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 35' ' ' GLN . 1.3 ttp-105 -94.79 -33.51 12.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.1 -30.09 70.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.629 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -110.36 -64.63 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 42' ' ' MET . 0.3 OUTLIER 164.97 -56.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.903 ' HA ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER 173.04 37.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 111.013 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.629 ' H ' HD12 ' A' ' 40' ' ' LEU . 3.4 tt0 -79.88 52.36 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.641 ' HA ' HG12 ' A' ' 47' ' ' VAL . 39.3 ttmt -49.21 -24.6 1.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -52.5 57.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -77.48 -33.79 54.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.667 ' O ' HD23 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -69.93 -26.65 30.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.559 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 34.8 m-20 -77.75 -57.67 3.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -30.62 63.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.47 -58.55 3.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.844 HD12 ' CD2' ' A' ' 70' ' ' TRP . 0.8 OUTLIER -48.96 -43.94 40.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.559 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 16.0 m-85 -60.89 -67.45 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.957 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -42.02 -52.61 4.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.5 mt -58.96 -39.61 82.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' TYR . 41.5 tt0 -54.6 -49.59 70.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.288 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -73.68 -19.68 60.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.591 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 68.1 m -79.48 -28.63 41.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.074 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 77.19 12.92 2.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.419 ' CE ' ' O ' ' A' ' 59' ' ' MET . 5.6 tpt -70.6 -18.86 62.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 110.998 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 28.2 m -132.11 169.29 22.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.234 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.493 ' CG ' ' HA ' ' A' ' 73' ' ' THR . 0.7 OUTLIER -127.65 -169.36 2.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.67 156.01 45.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.984 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.7 t -88.65 -11.11 46.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.976 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 51.03 43.31 29.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -164.1 152.25 12.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.494 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 3.5 mt -84.34 136.4 40.36 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.3 Cg_endo -74.96 155.28 99.98 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.031 -2.487 . . . . 0.0 111.005 -0.002 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 114.42 4.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.537 ' HD2' ' CZ ' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -128.22 154.11 46.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.844 ' CD2' HD12 ' A' ' 51' ' ' LEU . 42.5 m95 -97.3 129.29 44.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.019 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.637 ' HA ' HD11 ' A' ' 23' ' ' ILE . 7.9 m-30 -112.88 -170.98 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 111.068 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.444 ' O ' ' C ' ' A' ' 73' ' ' THR . 3.5 ttp -116.96 95.85 5.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.493 ' HA ' ' CG ' ' A' ' 61' ' ' TYR . 8.4 t 35.23 55.89 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 110.388 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.1 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.1 m -172.04 -99.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.041 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 1.004 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -114.72 -37.15 4.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.97 -38.6 23.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -39.86 92.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.252 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.8 mt -73.96 -37.32 47.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 1.004 HG23 ' O ' ' A' ' 15' ' ' ASN . 7.1 t -62.46 -41.4 91.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.572 ' HA ' HG22 ' A' ' 23' ' ' ILE . 3.2 t -70.12 -39.85 75.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 108.328 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -30.02 70.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.34 -61.45 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.975 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -52.82 -26.98 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 20' ' ' CYS . 0.1 OUTLIER -78.75 -48.65 14.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.5 m -58.63 -35.29 72.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.378 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.975 HD12 ' HA ' ' A' ' 23' ' ' ILE . 23.4 mt -58.78 -99.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.513 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 136.27 -68.42 0.53 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.101 . . . . 0.0 111.014 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.576 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -115.18 -33.25 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 0.784 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.457 ' C ' HG21 ' A' ' 26' ' ' ILE . 0.8 OUTLIER -65.14 -9.3 21.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.34 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.975 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 36.75 -156.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.934 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -137.4 95.59 3.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 t -80.06 179.36 7.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.349 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . -58.02 -74.16 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -38.98 -49.25 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -37.5 -78.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.934 HD11 ' HB1' ' A' ' 31' ' ' ALA . 9.4 mp -46.91 -49.47 20.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.898 HG23 ' HA ' ' A' ' 42' ' ' MET . 82.0 m -48.88 -22.42 0.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.4 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.26 -38.97 11.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -60.36 -29.45 68.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.667 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -110.65 -70.82 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 172.85 -54.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.898 ' HA ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER 173.46 37.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.667 ' H ' HD12 ' A' ' 40' ' ' LEU . 7.4 mt-10 -93.05 55.37 2.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.32 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.756 ' HA ' HG22 ' A' ' 47' ' ' VAL . 0.5 OUTLIER -52.93 -16.02 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.432 ' N ' ' C ' ' A' ' 43' ' ' GLU . 1.3 mpt_? -66.56 -45.41 79.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -76.23 -32.63 59.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.097 . . . . 0.0 110.339 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.756 HG22 ' HA ' ' A' ' 44' ' ' LYS . 0.9 OUTLIER -77.94 -26.32 14.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 44' ' ' LYS . 12.7 t30 -74.71 -49.73 20.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.42 -33.36 74.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.86 -37.83 64.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 1.057 HD22 ' CD2' ' A' ' 70' ' ' TRP . 41.7 mt -73.74 -33.95 64.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.083 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -66.85 -44.53 80.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.64 -39.51 77.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.0 mt -69.59 -27.48 65.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.362 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -81.71 -30.26 32.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.428 ' N ' ' HD2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -81.67 -24.52 36.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.751 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 2.0 p -84.69 -34.23 23.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.751 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 89.82 20.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -74.63 -29.87 61.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.6 m -121.58 -156.82 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -174.1 -173.86 0.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 111.046 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.6 t -117.69 168.22 10.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 109.998 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 10.7 t -85.7 -30.67 22.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.962 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 63' ' ' SER . 3.6 t0 81.6 28.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -155.12 171.55 19.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.497 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -105.33 136.2 19.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.4 Cg_endo -74.97 166.54 82.96 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 121.008 -2.497 . . . . 0.0 111.026 -0.005 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 115.0 4.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 111.045 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.4 128.6 54.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.282 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 1.057 ' CD2' HD22 ' A' ' 51' ' ' LEU . 74.0 m95 -75.85 119.75 20.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 107.984 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.576 ' CZ ' ' O ' ' A' ' 28' ' ' ILE . 4.4 m-30 -114.06 -173.62 2.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.15 . . . . 0.0 111.038 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.403 ' C ' HG22 ' A' ' 73' ' ' THR . 39.3 ttp -110.82 72.83 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.403 HG22 ' C ' ' A' ' 72' ' ' MET . 1.3 t 38.91 73.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.5 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.356 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.457 ' N ' ' OE2' ' A' ' 17' ' ' GLU . 39.5 t 179.96 -59.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 110.024 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.758 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -111.73 -54.2 2.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.58 -32.45 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.457 ' OE2' ' N ' ' A' ' 14' ' ' SER . 13.1 pt-20 -70.27 -46.57 64.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.352 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 15' ' ' ASN . 30.4 mt -73.36 -32.54 37.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' ' 15' ' ' ASN . 33.6 t -65.78 -41.23 89.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.406 ' HA ' HG22 ' A' ' 23' ' ' ILE . 2.2 m -69.39 -43.72 72.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 108.276 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -64.67 -27.17 68.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.16 -61.14 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.787 ' HA ' HD12 ' A' ' 26' ' ' ILE . 10.9 tt -51.25 -30.66 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -73.41 -53.3 11.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 m -51.27 -30.32 17.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 110.387 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.813 HD13 ' O ' ' A' ' 30' ' ' GLY . 23.8 mt -71.65 -100.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.491 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 131.91 -67.04 0.57 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.533 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -115.9 -29.59 2.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 0.786 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.559 ' CB ' HG23 ' A' ' 26' ' ' ILE . 1.2 tp10 -65.4 -9.09 22.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.813 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 36.8 -155.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.773 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -131.65 95.18 3.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.788 . . . . 0.0 109.328 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.466 ' CB ' ' HB3' ' A' ' 69' ' ' ARG . 1.2 t -78.84 178.91 7.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.412 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . -67.3 -68.53 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -37.82 -58.48 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.455 ' HB2' HG22 ' A' ' 32' ' ' THR . 1.6 mt-30 -36.54 -71.56 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.843 HD23 ' CG2' ' A' ' 47' ' ' VAL . 8.5 mp -49.34 -45.55 45.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.897 HG23 ' HA ' ' A' ' 42' ' ' MET . 82.7 m -57.12 -17.75 12.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.369 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -95.97 -31.76 12.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 110.283 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -66.57 -28.89 68.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 110.286 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.805 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -110.65 -73.93 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.447 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.2 OUTLIER 173.41 -43.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.897 ' HA ' HG23 ' A' ' 37' ' ' THR . 2.4 mtm 164.33 41.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.805 ' H ' HD12 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -98.26 59.38 1.35 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.352 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.4 OUTLIER -65.96 -16.3 63.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.09 . . . . 0.0 109.27 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -56.2 19.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.43 ' OE2' HG23 ' A' ' 47' ' ' VAL . 0.9 OUTLIER -72.37 -38.04 68.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.843 ' CG2' HD23 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -68.05 -24.82 30.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.532 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 9.2 m-20 -74.47 -58.1 3.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -57.14 -30.87 64.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.347 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.95 -53.41 10.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.874 HD23 ' CE2' ' A' ' 70' ' ' TRP . 3.0 mp -53.45 -47.05 70.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.532 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 23.3 m-85 -58.46 -64.93 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.35 -46.42 9.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.0 mt -61.78 -38.93 89.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' TYR . 1.3 tm0? -58.31 -44.54 88.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.319 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.01 -18.94 55.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.706 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 29.9 t -79.44 -28.53 41.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 86.14 28.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.65 -18.66 21.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 111.009 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.436 HG23 ' N ' ' A' ' 61' ' ' TYR . 2.8 m -141.96 -165.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.436 ' N ' HG23 ' A' ' 60' ' ' VAL . 8.4 t80 -168.53 -177.57 3.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.8 t -121.41 146.9 46.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.01 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.84 -34.28 22.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.998 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 61.92 18.33 9.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -138.38 149.94 46.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.509 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 2.3 tt -81.4 134.2 51.98 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.3 Cg_endo -74.97 143.68 78.58 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 120.977 -2.51 . . . . 0.0 111.049 -0.033 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.2 Cg_endo -75.02 147.51 33.95 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.566 ' HG3' ' CE1' ' A' ' 71' ' ' PHE . 8.7 ptp180 176.72 173.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.874 ' CE2' HD23 ' A' ' 51' ' ' LEU . 22.4 m95 -94.88 127.43 40.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 108.023 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.566 ' CE1' ' HG3' ' A' ' 69' ' ' ARG . 4.4 m-30 -115.17 -176.11 2.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.501 ' CG ' ' O ' ' A' ' 72' ' ' MET . 3.3 ptp -101.63 71.19 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 72' ' ' MET . 1.0 OUTLIER 36.29 88.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.392 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.5 p . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.417 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.8 t -173.06 -85.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.938 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.739 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -112.54 -40.9 3.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.471 ' HB1' HD21 ' A' ' 54' ' ' LEU . . . -46.63 -40.25 12.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.73 -44.12 97.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.413 HD13 ' HA ' ' A' ' 18' ' ' ILE . 1.4 mm -73.85 -41.42 53.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 15' ' ' ASN . 39.4 t -59.49 -36.65 65.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.763 ' O ' HG22 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -68.75 -63.21 1.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 108.302 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -45.59 -29.31 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.07 -54.56 9.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.864 ' HA ' HD12 ' A' ' 26' ' ' ILE . 6.0 tt -53.87 -26.69 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.81 -49.57 17.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.24 -31.17 63.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.368 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.896 HD13 ' O ' ' A' ' 30' ' ' GLY . 46.5 mt -65.31 -100.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.503 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 139.82 -72.08 0.42 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 110.959 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.524 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -117.08 -29.56 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.771 . . . . 0.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 30' ' ' GLY . 0.4 OUTLIER -64.7 -9.77 22.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.233 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.896 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 36.16 -154.69 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.684 ' HB1' ' CD1' ' A' ' 36' ' ' LEU . . . -139.49 97.71 3.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 0.771 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.492 HG23 ' N ' ' A' ' 33' ' ' ALA . 15.2 t -82.88 -152.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.431 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.492 ' N ' HG23 ' A' ' 32' ' ' THR . . . -72.39 -73.48 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 35' ' ' GLN . . . -39.78 -48.88 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 34' ' ' ALA . 3.6 mm100 -38.39 -81.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.684 ' CD1' ' HB1' ' A' ' 31' ' ' ALA . 9.4 mp -46.03 -50.48 15.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.96 HG23 ' HA ' ' A' ' 42' ' ' MET . 25.9 m -47.86 -22.91 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.409 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.87 -45.88 8.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 -52.38 -29.34 23.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 110.267 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.726 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -110.18 -73.88 0.67 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.421 ' O ' ' HB3' ' A' ' 42' ' ' MET . 0.3 OUTLIER 176.18 -50.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.96 ' HA ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER 167.28 39.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.726 ' H ' HD12 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -91.68 55.4 2.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.763 ' HA ' HG22 ' A' ' 47' ' ' VAL . 19.2 tttt -45.95 -23.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.408 ' N ' ' C ' ' A' ' 43' ' ' GLU . 0.4 OUTLIER -68.5 -42.55 78.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.269 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.473 ' CG ' ' HB3' ' A' ' 43' ' ' GLU . 0.6 OUTLIER -77.42 -37.62 51.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.763 HG22 ' HA ' ' A' ' 44' ' ' LYS . 1.0 OUTLIER -73.95 -26.59 21.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 9.0 t30 -75.18 -51.77 12.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.66 -32.11 73.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.63 -43.08 49.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.941 HD22 ' CD2' ' A' ' 70' ' ' TRP . 29.9 mt -66.93 -34.9 78.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.508 ' CD2' ' N ' ' A' ' 53' ' ' ASP . 1.7 t80 -66.68 -58.39 5.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.508 ' N ' ' CD2' ' A' ' 52' ' ' TYR . 2.7 t0 -51.11 -51.56 52.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.471 HD21 ' HB1' ' A' ' 16' ' ' ALA . 21.4 mt -55.35 -40.94 71.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.462 ' O ' ' NE2' ' A' ' 55' ' ' GLN . 0.6 OUTLIER -58.57 -49.74 76.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -70.44 -17.74 63.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.682 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 25.1 t -86.33 -34.26 20.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 84.08 18.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.402 ' CG ' ' OG ' ' A' ' 57' ' ' SER . 0.0 OUTLIER -78.97 -24.86 43.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.989 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.403 ' CG1' HD13 ' A' ' 54' ' ' LEU . 33.2 m -120.08 -171.84 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.561 ' CZ ' ' C ' ' A' ' 74' ' ' THR . 15.9 t80 -135.14 168.87 18.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.37 138.68 47.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.17 -24.47 54.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.02 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 64.19 41.19 6.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -158.46 169.62 24.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.341 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.555 HD12 ' HD3' ' A' ' 68' ' ' PRO . 4.6 tp -103.36 132.64 20.9 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.531 ' HA ' HD12 ' A' ' 66' ' ' ILE . 18.2 Cg_endo -75.03 172.8 61.22 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.961 -2.516 . . . . 0.0 110.989 0.004 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.555 ' HD3' HD12 ' A' ' 66' ' ' ILE . 18.1 Cg_endo -74.99 107.54 2.51 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.775 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 -108.18 120.11 41.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.941 ' CD2' HD22 ' A' ' 51' ' ' LEU . 61.3 m95 -92.61 124.96 37.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 107.969 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.616 ' CA ' HD11 ' A' ' 23' ' ' ILE . 4.0 m-30 -115.58 -167.77 1.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.499 ' O ' ' C ' ' A' ' 73' ' ' THR . 0.0 OUTLIER -117.23 101.59 8.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.69 HG23 ' O ' ' A' ' 73' ' ' THR . 13.1 t 30.09 90.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.561 ' C ' ' CZ ' ' A' ' 61' ' ' TYR . 2.7 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.381 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.413 ' C ' ' CD ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.446 ' N ' ' OE2' ' A' ' 17' ' ' GLU . 13.3 t -179.43 -73.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.013 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.974 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -119.01 -47.79 2.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.72 -40.23 9.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.446 ' OE2' ' N ' ' A' ' 14' ' ' SER . 14.9 pt-20 -61.69 -44.06 97.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.346 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' A' ' 18' ' ' ILE . 19.8 mm -74.77 -31.78 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.974 HG23 ' O ' ' A' ' 15' ' ' ASN . 14.9 t -69.3 -31.91 51.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.582 ' HA ' HG22 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -82.14 -39.57 23.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 108.287 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -66.22 -34.68 78.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.45 -60.56 2.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.69 HG22 ' O ' ' A' ' 19' ' ' VAL . 11.5 tt -48.59 -38.62 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -66.07 -60.19 3.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -46.93 -28.98 1.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 110.419 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.631 HG21 ' N ' ' A' ' 30' ' ' GLY . 1.8 mm -67.31 -100.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.491 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 134.01 -66.96 0.56 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.115 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.409 HG13 ' N ' ' A' ' 29' ' ' GLU . 0.6 OUTLIER -116.77 -32.8 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.505 0.768 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.457 ' CB ' HG23 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -62.16 -12.19 18.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.347 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.631 ' N ' HG21 ' A' ' 26' ' ' ILE . . . 35.46 -153.17 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.8 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -118.75 82.52 1.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 0.738 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.34 149.79 25.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 110.394 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 36' ' ' LEU . . . -40.8 -63.84 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -38.68 -52.56 1.67 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.127 . . . . 0.0 109.352 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -43.0 99.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.8 HD11 ' HB1' ' A' ' 31' ' ' ALA . 2.2 mp -66.75 -10.68 49.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.75 HG23 ' HA ' ' A' ' 42' ' ' MET . 22.0 m -104.4 -21.59 13.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.396 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.41 -53.21 4.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.284 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.04 -28.08 3.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.695 HD21 ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -114.87 -95.68 0.46 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.496 ' O ' ' HB2' ' A' ' 42' ' ' MET . 0.3 OUTLIER -157.86 -56.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.75 ' HA ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER 172.35 40.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.965 ' O ' HG13 ' A' ' 47' ' ' VAL . 0.8 OUTLIER -79.47 48.6 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.769 ' HA ' HG22 ' A' ' 47' ' ' VAL . 17.4 tttt -51.08 -29.04 11.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -70.91 -44.44 66.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.403 ' HG3' ' HB3' ' A' ' 43' ' ' GLU . 0.9 OUTLIER -76.47 -40.93 48.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.965 HG13 ' O ' ' A' ' 43' ' ' GLU . 1.2 m -70.27 -26.34 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.544 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 4.3 t-20 -73.55 -59.55 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.242 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.51 -32.98 65.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.07 -49.61 35.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.85 HD23 ' CE2' ' A' ' 70' ' ' TRP . 6.2 mp -59.93 -31.34 69.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.541 ' CD2' ' N ' ' A' ' 53' ' ' ASP . 2.9 t80 -67.6 -64.99 0.75 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.035 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.541 ' N ' ' CD2' ' A' ' 52' ' ' TYR . 2.6 t0 -46.24 -45.31 17.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 54.4 mt -64.28 -37.61 88.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.571 1.169 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -59.23 -38.91 81.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -86.4 -16.9 35.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.684 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 49.2 m -83.57 -31.22 26.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.024 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.684 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 84.38 24.41 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.2 mmt -86.22 -17.69 34.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.3 m -141.04 158.33 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.514 ' CG ' ' HA ' ' A' ' 73' ' ' THR . 1.8 m-85 -125.37 -167.28 1.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.71 151.8 47.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.056 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.506 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -71.32 -34.39 70.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.039 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.506 ' CB ' ' O ' ' A' ' 63' ' ' SER . 6.3 t0 82.3 21.85 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.16 166.77 27.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.515 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 1.1 mp -96.08 139.53 21.83 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.4 Cg_endo -75.0 173.44 57.9 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.038 -0.024 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 116.99 4.76 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.513 1.796 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.8 mtp85 -128.85 142.3 51.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.85 ' CE2' HD23 ' A' ' 51' ' ' LEU . 25.1 m95 -91.9 120.79 32.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 108.035 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.575 ' C ' HD11 ' A' ' 23' ' ' ILE . 4.3 m-30 -109.3 -169.11 1.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.926 ' O ' HG22 ' A' ' 73' ' ' THR . 0.0 OUTLIER -113.2 97.84 6.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.926 HG22 ' O ' ' A' ' 72' ' ' MET . 9.2 t 56.11 156.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.352 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.706 HG22 ' O ' ' A' ' 73' ' ' THR . 15.0 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.383 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.833 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.49 -42.42 98.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.55 -40.0 92.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.0 mt -75.95 -32.76 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.241 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 15' ' ' ASN . 42.7 t -68.45 -36.54 75.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.438 ' HA ' HG22 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -75.42 -38.63 59.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 108.271 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.98 -29.65 68.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.45 -58.35 3.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.643 HD11 ' HG2' ' A' ' 72' ' ' MET . 0.0 OUTLIER -48.06 -46.63 12.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.35 -53.63 49.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -50.85 -25.25 4.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.647 HG21 ' HB3' ' A' ' 29' ' ' GLU . 85.6 mt -87.21 -100.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.557 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 155.57 -78.95 0.19 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.443 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.7 OUTLIER -113.09 -19.68 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.647 ' HB3' HG21 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -65.85 -9.26 27.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 29' ' ' GLU . . . 35.94 -155.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.501 1.126 . . . . 0.0 111.046 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.719 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -120.04 90.01 3.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.4 t -79.77 -172.48 3.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . -64.57 -73.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -38.66 -46.82 1.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -39.94 -81.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.719 HD11 ' HB1' ' A' ' 31' ' ' ALA . 9.8 mp -46.36 -51.15 15.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.752 HG23 ' HA ' ' A' ' 42' ' ' MET . 24.7 m -46.57 -23.55 0.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.147 . . . . 0.0 110.396 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.66 -40.34 10.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.35 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -58.04 -29.25 65.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.278 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.69 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -108.47 -75.29 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.466 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.3 OUTLIER 176.23 -47.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.752 ' HA ' HG23 ' A' ' 37' ' ' THR . 2.8 mtt 163.11 41.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.69 ' H ' HD12 ' A' ' 40' ' ' LEU . 3.3 mt-10 -90.01 55.52 3.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.339 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.547 ' HA ' HG12 ' A' ' 47' ' ' VAL . 23.7 mttt -54.17 -21.48 8.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -55.13 37.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.61 -36.31 44.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.726 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -64.45 -25.65 38.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.423 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 47.4 m-20 -82.05 -54.32 5.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -58.23 -32.98 68.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.12 -50.8 17.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.726 HD13 ' O ' ' A' ' 47' ' ' VAL . 5.8 mp -56.34 -35.22 67.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.262 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.42 ' CD2' ' N ' ' A' ' 53' ' ' ASP . 1.8 t80 -67.43 -54.43 20.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.42 ' N ' ' CD2' ' A' ' 52' ' ' TYR . 0.6 OUTLIER -55.94 -47.27 77.88 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.127 . . . . 0.0 109.256 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 54' ' ' LEU . 13.7 mt -64.71 -30.81 71.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -68.03 -34.87 77.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 110.255 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -87.32 -17.86 31.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.158 . . . . 0.0 110.345 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.715 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 20.0 p -79.07 -33.54 44.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.023 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 86.1 16.54 0.12 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.527 ' CG ' ' OG ' ' A' ' 57' ' ' SER . 4.9 mmt -78.4 -31.52 48.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.418 HG23 ' HE3' ' A' ' 70' ' ' TRP . 5.0 m -126.38 158.98 36.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.102 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.511 ' CD2' ' N ' ' A' ' 74' ' ' THR . 1.6 m-85 -124.75 -166.36 1.51 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.07 165.33 20.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.99 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.563 ' OG ' ' CZ ' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -79.16 -30.54 43.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.008 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 63' ' ' SER . 3.4 t0 80.36 29.71 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -166.22 162.39 17.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.751 HG23 ' HA ' ' A' ' 67' ' ' PRO . 12.4 mt -91.12 140.34 25.86 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.751 ' HA ' HG23 ' A' ' 66' ' ' ILE . 18.7 Cg_endo -74.96 170.4 71.91 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 121.018 -2.492 . . . . 0.0 111.006 -0.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 118.84 5.42 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.456 1.767 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.3 mtm-85 -127.05 131.14 51.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.284 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.636 ' NE1' HD23 ' A' ' 51' ' ' LEU . 76.5 m95 -82.63 120.78 25.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 107.981 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.563 ' CZ ' ' OG ' ' A' ' 63' ' ' SER . 7.2 m-30 -113.54 -169.68 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.912 ' O ' HG22 ' A' ' 73' ' ' THR . 0.3 OUTLIER -114.44 97.8 6.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.912 HG22 ' O ' ' A' ' 72' ' ' MET . 9.2 t 55.89 157.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.393 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.662 HG22 ' O ' ' A' ' 73' ' ' THR . 14.9 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.397 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.675 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.512 ' HB1' HD21 ' A' ' 54' ' ' LEU . . . -41.65 -40.71 2.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 18' ' ' ILE . 12.9 pt-20 -63.06 -45.97 89.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 15' ' ' ASN . 23.5 mt -72.41 -54.85 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 15' ' ' ASN . 18.8 t -44.62 -40.79 2.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.54 ' HA ' HG22 ' A' ' 23' ' ' ILE . 2.6 m -67.45 -65.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 108.3 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' CYS . 4.3 tt0 -39.05 -29.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 110.299 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 20' ' ' CYS . . . -75.31 -67.29 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.597 ' O ' HD13 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -51.31 -21.8 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -75.93 -51.18 13.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.332 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 m -56.58 -33.23 65.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.674 HG21 ' N ' ' A' ' 30' ' ' GLY . 42.6 mm -55.76 -100.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.508 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 137.25 -69.34 0.51 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.517 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -117.24 -31.82 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.76 . . . . 0.0 109.329 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.478 ' HB3' HG23 ' A' ' 26' ' ' ILE . 0.9 OUTLIER -65.61 -8.72 21.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.674 ' N ' HG21 ' A' ' 26' ' ' ILE . . . 36.56 -155.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.724 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -133.43 94.89 3.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 0.735 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.545 HG22 ' HG3' ' A' ' 35' ' ' GLN . 14.7 t -80.08 -157.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.358 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.431 ' N ' HG23 ' A' ' 32' ' ' THR . . . -79.18 -71.18 0.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -38.89 -50.05 1.7 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.545 ' HG3' HG22 ' A' ' 32' ' ' THR . 1.2 mt-30 -38.44 -78.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.724 HD11 ' HB1' ' A' ' 31' ' ' ALA . 9.6 mp -47.0 -49.2 21.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.899 HG23 ' HA ' ' A' ' 42' ' ' MET . 22.3 m -51.4 -20.05 1.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 110.405 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 35' ' ' GLN . 1.0 OUTLIER -94.1 -36.52 12.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -29.62 70.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.67 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -110.36 -66.12 1.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.431 ' O ' ' HB2' ' A' ' 42' ' ' MET . 0.3 OUTLIER 167.39 -57.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.899 ' HA ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER 175.94 36.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 111.016 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.67 ' H ' HD12 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -82.07 51.52 1.78 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.689 ' HA ' HG12 ' A' ' 47' ' ' VAL . 0.8 OUTLIER -51.79 -22.98 4.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.77 -50.82 65.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.436 ' CG ' ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -78.79 -35.18 44.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.689 HG12 ' HA ' ' A' ' 44' ' ' LYS . 0.4 OUTLIER -69.79 -24.88 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 14.1 t30 -81.11 -54.44 5.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.2 tttm -59.06 -33.25 70.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.73 -50.56 23.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.667 HD23 ' NE1' ' A' ' 70' ' ' TRP . 5.0 mp -57.22 -34.19 68.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.41 ' CD2' ' N ' ' A' ' 53' ' ' ASP . 1.8 t80 -67.49 -53.74 26.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.41 ' N ' ' CD2' ' A' ' 52' ' ' TYR . 1.3 t0 -56.97 -50.78 71.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.525 HD22 ' HB2' ' A' ' 59' ' ' MET . 31.4 mt -56.66 -38.88 72.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -60.32 -46.31 90.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -74.78 -16.54 60.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 110.303 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.69 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 19.2 m -85.46 -34.16 21.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.025 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 84.54 21.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.525 ' HB2' HD22 ' A' ' 54' ' ' LEU . 1.0 OUTLIER -80.02 -14.64 58.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 110.947 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.4 m -145.51 164.59 11.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.503 ' CG ' ' HA ' ' A' ' 73' ' ' THR . 1.9 m-85 -125.7 -167.12 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.964 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.0 t -127.03 158.62 36.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.148 . . . . 0.0 109.946 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.465 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 5.2 t -73.55 -33.64 64.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 63' ' ' SER . 1.1 t70 79.52 38.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -169.21 167.67 10.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.522 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 1.3 mp -99.48 137.21 20.26 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.1 Cg_endo -75.01 171.0 70.32 Favored 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.99 -2.504 . . . . 0.0 110.991 -0.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 131.92 14.88 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.793 . . . . 0.0 111.048 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.426 ' NH1' ' HG2' ' A' ' 67' ' ' PRO . 8.8 mtm-85 -138.53 138.87 38.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.667 ' NE1' HD23 ' A' ' 51' ' ' LEU . 61.9 m95 -89.63 120.68 31.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 108.0 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.517 ' CZ ' ' O ' ' A' ' 28' ' ' ILE . 4.3 m-30 -114.05 -169.44 1.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.43 ' C ' HG22 ' A' ' 73' ' ' THR . 2.1 ttp -115.59 101.19 8.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 111.025 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.503 ' HA ' ' CG ' ' A' ' 61' ' ' TYR . 1.6 t 40.51 72.14 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.369 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.7 t . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 110.388 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.403 ' HB2' HD21 ' A' ' 54' ' ' LEU . . . -40.99 -33.29 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.422 ' CG ' ' N ' ' A' ' 18' ' ' ILE . 13.5 pt-20 -67.28 -49.89 62.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.458 HD13 ' HA ' ' A' ' 18' ' ' ILE . 14.5 mm -72.05 -42.44 67.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.476 ' O ' HG22 ' A' ' 23' ' ' ILE . 88.9 t -56.03 -43.85 76.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.595 ' HA ' HG22 ' A' ' 23' ' ' ILE . 22.7 t -68.58 -48.97 62.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 108.282 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -26.66 21.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.43 ' C ' ' N ' ' A' ' 24' ' ' LYS . . . -84.9 -69.03 0.68 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.821 ' O ' HD13 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -44.13 -27.55 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.43 ' N ' ' C ' ' A' ' 22' ' ' ALA . 0.9 OUTLIER -82.09 -55.8 4.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 m -51.12 -26.2 6.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.423 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.666 HD13 ' O ' ' A' ' 30' ' ' GLY . 72.2 mt -73.04 -100.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.523 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 148.76 -75.04 0.27 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.493 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.7 OUTLIER -112.91 -25.76 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 0.758 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.508 ' CB ' ' CG2' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -65.8 -9.32 27.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.265 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.666 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 36.24 -155.15 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.485 1.115 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.528 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -130.41 94.76 3.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 109.347 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.443 ' CB ' ' HG3' ' A' ' 69' ' ' ARG . 1.3 t -79.39 -179.18 6.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.395 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . -61.01 -67.07 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 35' ' ' GLN . . . -39.84 -50.38 2.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 34' ' ' ALA . 0.2 OUTLIER -37.17 -82.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.528 HD11 ' HB1' ' A' ' 31' ' ' ALA . 8.9 mp -44.78 -51.87 8.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.577 HG23 ' HA ' ' A' ' 42' ' ' MET . 5.3 m -44.41 -26.48 0.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.406 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.401 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -89.61 -45.84 9.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -51.83 -29.1 18.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.335 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.72 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -109.76 -78.21 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.466 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.2 OUTLIER 178.9 -47.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.577 ' HA ' HG23 ' A' ' 37' ' ' THR . 2.3 mtm 162.71 41.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.72 ' H ' HD12 ' A' ' 40' ' ' LEU . 2.3 mm-40 -83.26 52.94 2.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.683 ' HA ' HG12 ' A' ' 47' ' ' VAL . 5.9 tttp -45.06 -27.23 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.412 ' N ' ' C ' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -65.96 -49.03 69.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 110.305 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.495 ' OE1' ' CB ' ' A' ' 43' ' ' GLU . 4.3 pt-20 -77.31 -37.18 53.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.683 HG12 ' HA ' ' A' ' 44' ' ' LYS . 0.3 OUTLIER -68.1 -28.59 41.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.531 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 9.7 m-20 -75.27 -59.86 2.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -55.81 -29.56 59.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.03 -58.2 3.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.82 HD12 ' CE2' ' A' ' 70' ' ' TRP . 0.6 OUTLIER -49.69 -42.97 46.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.531 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 17.9 m-85 -62.2 -67.95 0.37 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -41.72 -50.19 4.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.403 HD21 ' HB2' ' A' ' 16' ' ' ALA . 15.2 mt -60.28 -41.77 94.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 52' ' ' TYR . 2.7 tp-100 -58.31 -49.82 75.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.256 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -70.75 -18.89 62.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.695 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 8.5 m -84.72 -32.7 23.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.973 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.695 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 84.98 21.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.73 -18.73 58.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.4 m -144.33 166.21 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.509 ' CG ' ' HA ' ' A' ' 73' ' ' THR . 1.9 m-85 -126.46 -169.24 1.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.6 141.45 49.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.507 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 1.0 OUTLIER -52.12 -39.8 60.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.004 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 63' ' ' SER . 1.5 t70 82.44 20.84 0.26 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.08 161.65 41.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.242 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.556 ' CG1' ' HA ' ' A' ' 67' ' ' PRO . 5.8 tt -92.95 135.92 25.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.556 ' HA ' ' CG1' ' A' ' 66' ' ' ILE . 18.2 Cg_endo -75.06 157.77 99.34 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.006 -2.497 . . . . 0.0 110.982 0.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 138.87 23.61 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 110.983 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.443 ' HG3' ' CB ' ' A' ' 32' ' ' THR . 1.3 mpt_? -148.75 141.23 24.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.82 ' CE2' HD12 ' A' ' 51' ' ' LEU . 86.5 m95 -82.74 117.85 22.95 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.501 ' CE1' ' HA3' ' A' ' 30' ' ' GLY . 6.4 m-30 -111.43 -170.12 1.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.526 ' CG ' ' O ' ' A' ' 72' ' ' MET . 1.8 ptt? -114.96 101.52 9.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.664 HG23 ' O ' ' A' ' 73' ' ' THR . 9.2 t 32.35 85.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.379 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.2 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.378 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.955 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.93 -38.49 3.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 18' ' ' ILE . 13.8 pt-20 -64.05 -46.39 84.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.42 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 2.9 mm -71.52 -34.27 52.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.955 HG23 ' O ' ' A' ' 15' ' ' ASN . 8.7 t -66.65 -34.84 72.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.465 ' HA ' HG22 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -74.01 -40.79 62.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 108.276 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.42 -28.01 67.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.258 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.495 ' CB ' ' OE1' ' A' ' 39' ' ' GLN . . . -78.53 -60.9 2.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.787 HD11 ' C ' ' A' ' 71' ' ' PHE . 11.5 tt -46.89 -41.52 5.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.356 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -69.46 -50.98 40.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.71 -27.88 19.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.446 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.688 HD13 ' O ' ' A' ' 30' ' ' GLY . 67.6 mt -72.03 -101.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.623 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 151.56 -78.11 0.21 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.115 . . . . 0.0 110.969 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.518 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -116.31 -27.73 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -62.74 -11.87 20.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.688 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 33.97 -151.73 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.618 ' HB1' ' CD1' ' A' ' 36' ' ' LEU . . . -130.2 98.59 4.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 0.794 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.712 HG23 ' O ' ' A' ' 32' ' ' THR . 15.1 t -93.37 67.22 4.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.477 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . 64.12 -76.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.477 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -33.41 -53.54 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' ALA . 1.4 mm100 -37.58 -71.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.618 ' CD1' ' HB1' ' A' ' 31' ' ' ALA . 9.7 mp -51.7 -45.69 63.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.821 HG23 ' HA ' ' A' ' 42' ' ' MET . 60.0 m -54.2 -19.21 4.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.39 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.6 mtt-85 -96.01 -33.95 11.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.143 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.495 ' OE1' ' CB ' ' A' ' 22' ' ' ALA . 0.6 OUTLIER -63.42 -29.09 70.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.765 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -109.83 -78.65 0.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.47 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.2 OUTLIER 179.77 -42.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.821 ' HA ' HG23 ' A' ' 37' ' ' THR . 3.9 mtt 162.97 41.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.941 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.765 ' H ' HD12 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -95.84 54.97 1.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.755 ' HA ' HG22 ' A' ' 47' ' ' VAL . 12.1 ttmt -49.21 -19.35 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.457 ' N ' ' C ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -67.97 -47.6 68.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 47' ' ' VAL . 0.2 OUTLIER -73.01 -36.37 66.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.24 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.755 HG22 ' HA ' ' A' ' 44' ' ' LYS . 1.0 OUTLIER -75.03 -25.86 18.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.549 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 21.6 m-20 -71.74 -56.73 5.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -62.68 -32.52 73.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.02 -42.23 66.6 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.564 ' HB3' ' CZ2' ' A' ' 70' ' ' TRP . 0.2 OUTLIER -64.8 -48.8 73.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.549 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 24.1 m-85 -55.86 -65.72 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -44.19 -54.52 5.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 54' ' ' LEU . 12.3 mt -56.94 -34.7 68.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -57.91 -49.19 77.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.337 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.72 -18.41 60.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.631 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 66.2 m -79.19 -29.28 42.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.965 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 79.36 10.32 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.9 tpt -70.64 -28.08 64.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 111.04 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.8 m -123.96 167.91 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.529 ' CD1' ' HA ' ' A' ' 73' ' ' THR . 1.8 m-85 -127.4 -170.33 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.6 t -137.46 168.37 19.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.03 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 t -80.23 -23.91 40.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.009 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 t0 73.99 22.1 2.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.23 168.62 25.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.649 HD12 ' HA ' ' A' ' 67' ' ' PRO . 1.2 tp -97.34 137.48 21.15 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.649 ' HA ' HD12 ' A' ' 66' ' ' ILE . 18.2 Cg_endo -75.02 172.22 64.13 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.019 -2.492 . . . . 0.0 110.959 0.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.596 ' HD3' HD12 ' A' ' 66' ' ' ILE . 18.2 Cg_endo -75.0 118.02 5.12 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.534 1.807 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -117.41 124.61 49.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.564 ' CZ2' ' HB3' ' A' ' 51' ' ' LEU . 66.3 m95 -82.86 118.29 23.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 108.037 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.787 ' C ' HD11 ' A' ' 23' ' ' ILE . 4.8 m-30 -114.85 -170.57 1.77 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.485 ' O ' HG22 ' A' ' 73' ' ' THR . 0.1 OUTLIER -119.17 99.95 7.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 111.055 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.529 ' HA ' ' CD1' ' A' ' 61' ' ' TYR . 4.6 t 45.36 54.43 7.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.392 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.479 HG22 ' HB3' ' A' ' 61' ' ' TYR . 15.2 t . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.409 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.78 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.44 -36.31 1.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -65.06 -47.46 77.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.455 ' HA ' HD13 ' A' ' 18' ' ' ILE . 16.8 mm -72.96 -27.62 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 15' ' ' ASN . 61.4 t -66.14 -45.25 90.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.581 ' HA ' HG22 ' A' ' 23' ' ' ILE . 14.0 p -73.1 -33.81 65.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 108.305 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -30.67 70.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.76 -61.11 2.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.872 ' HA ' HD12 ' A' ' 26' ' ' ILE . 8.5 tt -47.87 -39.82 8.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.69 -49.01 57.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.3 m -56.08 -27.72 54.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.384 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.982 HD13 ' O ' ' A' ' 30' ' ' GLY . 21.4 mt -72.72 -99.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.502 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 138.72 -69.43 0.49 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.444 1.09 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.52 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -115.48 -30.13 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 0.744 . . . . 0.0 109.325 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.427 ' C ' HG21 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -66.5 -8.47 26.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.982 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 36.6 -155.23 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -132.87 92.76 3.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 0.783 . . . . 0.0 109.248 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.606 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -80.0 174.29 11.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.394 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 36' ' ' LEU . . . -61.57 -62.03 2.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.1 -39.37 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -72.43 -41.67 65.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.719 ' O ' HD21 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -71.4 -6.85 43.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.251 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.884 HG23 ' HA ' ' A' ' 42' ' ' MET . 54.1 m -110.54 -21.94 11.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.07 -48.25 7.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -29.97 48.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.719 HD21 ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -107.73 -80.7 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.41 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.3 OUTLIER 179.62 -50.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.884 ' HA ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER 166.71 39.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.956 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.452 ' HB2' HD12 ' A' ' 40' ' ' LEU . 3.7 mp0 -88.18 53.94 2.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.538 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 20.8 tptt -56.4 -22.81 33.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -51.66 61.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -79.16 -34.55 43.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.538 HG13 HD12 ' A' ' 51' ' ' LEU . 1.0 OUTLIER -70.52 -23.63 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.538 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 5.3 t-20 -83.42 -48.08 10.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? -65.05 -33.3 75.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.8 -46.87 28.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.726 HD22 ' CD2' ' A' ' 70' ' ' TRP . 56.3 mt -65.19 -28.59 69.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.484 ' CE2' ' NH1' ' A' ' 56' ' ' ARG . 1.6 t80 -72.32 -50.52 26.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.409 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 0.9 OUTLIER -61.14 -40.2 92.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.1 mt -64.08 -43.58 95.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.49 -50.75 72.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.484 ' NH1' ' CE2' ' A' ' 52' ' ' TYR . 1.0 OUTLIER -71.55 -19.6 62.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.69 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 57.9 m -83.1 -31.75 27.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.028 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 84.56 18.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -78.24 -19.66 53.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.1 m -136.93 -157.58 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.409 ' CG ' ' N ' ' A' ' 62' ' ' SER . 5.7 t80 -174.33 -174.24 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.409 ' N ' ' CG ' ' A' ' 61' ' ' TYR . 0.1 OUTLIER -119.5 154.88 33.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.995 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.0 t -69.02 -16.08 63.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.1 t0 63.22 30.14 15.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -166.75 163.77 16.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.772 HG23 ' HA ' ' A' ' 67' ' ' PRO . 23.6 mt -89.55 141.13 28.44 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.772 ' HA ' HG23 ' A' ' 66' ' ' ILE . 18.4 Cg_endo -75.05 166.67 82.64 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 120.98 -2.508 . . . . 0.0 110.993 0.021 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 110.91 3.21 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.488 1.783 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.3 mtt180 -128.23 139.68 52.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.726 ' CD2' HD22 ' A' ' 51' ' ' LEU . 58.4 m95 -83.78 120.52 26.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 108.016 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.787 ' C ' HD11 ' A' ' 23' ' ' ILE . 4.3 m-30 -114.92 -173.52 2.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.495 ' O ' ' C ' ' A' ' 73' ' ' THR . 1.2 ptt? -109.18 76.0 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.683 HG23 ' O ' ' A' ' 73' ' ' THR . 12.0 t 30.27 68.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.373 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.4 t . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.396 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 1.022 ' O ' HG23 ' A' ' 19' ' ' VAL . 24.5 t30 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.52 -42.32 2.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.4 ' C ' ' OE1' ' A' ' 17' ' ' GLU . 0.6 OUTLIER -71.04 -39.21 72.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.487 ' N ' ' O ' ' A' ' 15' ' ' ASN . 17.4 mm -69.62 -32.13 51.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 1.022 HG23 ' O ' ' A' ' 15' ' ' ASN . 2.6 t -71.08 -40.18 75.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.253 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.495 ' HA ' HG22 ' A' ' 23' ' ' ILE . 15.3 t -70.43 -37.73 74.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 108.31 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -68.47 -31.91 71.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.5 -59.81 2.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.815 ' HA ' HD12 ' A' ' 26' ' ' ILE . 11.5 tt -45.76 -46.02 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.368 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -66.16 -48.05 72.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -55.55 -25.09 35.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 110.401 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.815 HD12 ' HA ' ' A' ' 23' ' ' ILE . 23.0 mt -77.18 -100.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.507 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 151.71 -76.32 0.23 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.504 1.128 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.513 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.7 OUTLIER -113.01 -22.52 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.754 . . . . 0.0 109.296 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.695 ' HB3' HG21 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -64.93 -10.0 25.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.539 ' HA3' ' CD1' ' A' ' 71' ' ' PHE . . . 36.06 -154.58 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.118 . . . . 0.0 110.955 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.636 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -136.89 96.56 3.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 0.794 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.949 ' O ' HD13 ' A' ' 36' ' ' LEU . 7.3 t -80.37 -162.56 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.441 ' N ' HG23 ' A' ' 32' ' ' THR . . . -81.89 -59.31 2.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -37.44 -59.02 0.8 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.52 -45.32 73.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.137 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.949 HD13 ' O ' ' A' ' 32' ' ' THR . 7.3 mp -66.65 -9.91 40.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.967 HG23 ' HA ' ' A' ' 42' ' ' MET . 80.7 m -104.73 -17.71 14.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.368 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -92.32 -52.52 4.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.454 1.096 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.71 -30.14 5.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.332 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.737 HD21 ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -108.82 -80.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.422 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.3 OUTLIER -179.06 -51.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.967 ' HA ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER 165.97 39.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.989 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.604 ' H ' HD12 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -94.82 55.5 1.88 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 110.319 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.541 ' HA ' HG12 ' A' ' 47' ' ' VAL . 82.7 tttt -58.65 -18.4 30.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.2 mtt-85 -62.25 -54.7 36.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.253 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -76.12 -37.43 58.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.26 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.718 HG22 HD23 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -67.52 -24.21 30.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 3.5 t-20 -79.16 -54.67 5.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -59.75 -30.02 68.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.59 -44.75 41.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.764 HD11 HD22 ' A' ' 36' ' ' LEU . 32.9 mt -62.56 -42.49 99.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.49 ' CD1' ' O ' ' A' ' 48' ' ' ASN . 3.0 m-85 -64.41 -43.89 92.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -63.1 -49.99 72.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.489 ' HB3' HG23 ' A' ' 60' ' ' VAL . 12.5 mt -58.7 -44.85 90.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 55' ' ' GLN . 0.3 OUTLIER -53.0 -53.62 47.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -19.96 65.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.7 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 32.0 t -81.43 -29.23 33.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.008 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.7 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 86.0 31.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -96.61 -15.55 21.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.555 HG12 ' O ' ' A' ' 71' ' ' PHE . 2.1 t -143.65 167.8 12.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.519 ' CG ' ' HA ' ' A' ' 73' ' ' THR . 1.6 m-85 -129.08 -172.71 2.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -127.68 150.62 49.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.973 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.57 -29.79 59.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.98 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 68.75 20.83 8.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -139.91 167.87 21.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -100.38 137.11 19.89 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.55 ' HA ' HD12 ' A' ' 66' ' ' ILE . 18.3 Cg_endo -75.01 172.48 62.8 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.969 0.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.505 ' HD3' HD12 ' A' ' 66' ' ' ILE . 18.2 Cg_endo -75.01 120.1 5.92 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.493 1.786 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -135.99 141.48 44.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.644 ' CD2' HD22 ' A' ' 51' ' ' LEU . 22.0 m95 -90.23 128.41 36.38 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.771 ' C ' HD11 ' A' ' 23' ' ' ILE . 3.5 m-30 -116.28 -169.47 1.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.587 1.18 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.405 ' C ' HG22 ' A' ' 73' ' ' THR . 1.7 tpt -117.13 105.24 12.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.936 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.519 ' HA ' ' CG ' ' A' ' 61' ' ' TYR . 2.4 t 39.83 65.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.45 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.561 HG23 ' HD2' ' A' ' 71' ' ' PHE . 13.3 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.985 ' O ' HG23 ' A' ' 19' ' ' VAL . 2.3 t-20 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -39.72 -52.03 2.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -62.04 -41.03 97.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.337 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' ASN . 22.0 mt -66.21 -36.63 77.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.985 HG23 ' O ' ' A' ' 15' ' ' ASN . 2.6 t -67.97 -33.4 61.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.472 ' HA ' HG22 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -74.99 -35.65 62.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 108.261 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -68.53 -32.64 72.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.19 -59.32 2.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.473 ' CD1' ' HG2' ' A' ' 72' ' ' MET . 0.0 OUTLIER -47.68 -44.59 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -61.58 -52.63 63.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -52.88 -26.2 14.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.406 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.577 HG22 ' N ' ' A' ' 27' ' ' GLY . 84.7 mt -78.61 -101.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.577 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 153.31 -78.89 0.2 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.418 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -114.11 -22.38 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.474 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 1.9 tt0 -62.87 -11.28 17.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 29' ' ' GLU . . . 36.2 -155.1 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.461 1.1 . . . . 0.0 111.033 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.775 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -120.14 87.36 2.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 0.764 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 t -81.36 179.55 7.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.381 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . -56.08 -76.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 35' ' ' GLN . . . -38.93 -47.57 1.46 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.661 ' NE2' HE22 ' A' ' 39' ' ' GLN . 0.0 OUTLIER -37.79 -78.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.293 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.775 HD11 ' HB1' ' A' ' 31' ' ' ALA . 10.4 mp -46.85 -49.16 20.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.939 HG23 ' HA ' ' A' ' 42' ' ' MET . 98.9 m -49.73 -21.81 1.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.424 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.3 -38.38 11.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.661 HE22 ' NE2' ' A' ' 35' ' ' GLN . 1.2 mp0 -61.57 -30.41 70.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.256 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.656 HD11 ' CG1' ' A' ' 47' ' ' VAL . 0.1 OUTLIER -110.56 -69.62 0.86 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 37' ' ' THR . 0.3 OUTLIER 172.35 -56.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.939 ' HA ' HG23 ' A' ' 37' ' ' THR . 4.8 ttp 176.38 35.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.622 ' H ' HD12 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -87.35 51.88 2.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 110.266 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.767 ' HA ' HG22 ' A' ' 47' ' ' VAL . 13.5 ttmt -47.9 -21.74 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 46' ' ' GLU . 1.1 ptm180 -68.59 -39.31 80.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -81.54 -35.86 29.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.911 ' O ' HD13 ' A' ' 51' ' ' LEU . 1.0 OUTLIER -74.65 -26.44 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 11.9 t-20 -78.78 -53.75 6.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -60.28 -33.73 72.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.12 -39.55 60.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.249 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.911 HD13 ' O ' ' A' ' 47' ' ' VAL . 4.1 mp -63.78 -41.38 97.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.411 ' CD1' ' N ' ' A' ' 53' ' ' ASP . 1.3 t80 -65.72 -51.22 61.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.411 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 0.4 OUTLIER -58.63 -57.62 12.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.599 HD22 ' HB2' ' A' ' 59' ' ' MET . 13.1 mt -53.87 -38.88 65.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -61.77 -46.58 88.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.262 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.407 ' CD ' ' O ' ' A' ' 52' ' ' TYR . 0.5 OUTLIER -68.39 -20.9 64.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.701 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 43.1 t -83.15 -32.57 26.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.933 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 85.83 26.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.599 ' HB2' HD22 ' A' ' 54' ' ' LEU . 0.7 OUTLIER -87.59 -16.28 34.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 71' ' ' PHE . 1.1 t -137.55 164.97 27.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.515 ' CG ' ' HA ' ' A' ' 73' ' ' THR . 1.6 m-85 -128.19 -172.01 2.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.5 t -127.44 161.38 28.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.039 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -90.11 -8.14 52.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.996 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 51.96 43.19 30.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.357 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -164.03 166.44 21.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.494 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 22.6 mt -101.69 136.78 19.5 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.2 Cg_endo -75.03 173.4 58.11 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.963 -2.515 . . . . 0.0 110.975 0.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 108.41 2.71 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.486 1.782 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.427 ' NH1' ' HG2' ' A' ' 67' ' ' PRO . 6.9 mtt85 -114.84 119.93 38.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.571 ' NE1' HD23 ' A' ' 51' ' ' LEU . 57.5 m95 -79.05 122.67 26.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 108.021 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.586 ' O ' HG12 ' A' ' 60' ' ' VAL . 6.0 m-30 -113.47 -169.47 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.473 ' HG2' ' CD1' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -117.03 99.92 7.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.976 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.515 ' HA ' ' CG ' ' A' ' 61' ' ' TYR . 1.8 t 42.36 69.4 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.416 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.349 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 1.044 ' O ' HG23 ' A' ' 19' ' ' VAL . 2.2 p30 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.79 -44.8 14.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.494 ' OE2' ' CD1' ' A' ' 18' ' ' ILE . 0.8 OUTLIER -61.57 -37.33 83.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.26 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.494 ' CD1' ' OE2' ' A' ' 17' ' ' GLU . 38.3 mm -78.15 -32.74 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 1.044 HG23 ' O ' ' A' ' 15' ' ' ASN . 3.4 t -70.63 -32.94 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.482 ' HA ' HG22 ' A' ' 23' ' ' ILE . 1.3 m -81.49 -40.03 23.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 108.29 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -68.19 -32.3 72.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 110.295 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.85 -61.01 2.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.735 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -48.85 -38.67 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -49.85 50.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.9 m -53.86 -26.39 24.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.929 HD13 ' O ' ' A' ' 30' ' ' GLY . 91.7 mt -68.11 -101.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.695 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 143.26 -76.98 0.29 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.454 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -119.2 -21.83 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.788 . . . . 0.0 109.323 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.745 ' HB3' HG23 ' A' ' 26' ' ' ILE . 7.2 tt0 -68.27 -6.15 22.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.929 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 35.81 -154.32 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.544 1.152 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.901 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -135.88 90.96 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.23 170.03 10.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.402 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . -43.84 -74.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 35' ' ' GLN . . . -38.12 -54.44 1.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.49 ' NE2' ' NE2' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -36.05 -80.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.901 HD11 ' HB1' ' A' ' 31' ' ' ALA . 9.5 mp -44.91 -52.27 8.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.864 HG23 ' HA ' ' A' ' 42' ' ' MET . 20.5 m -45.08 -24.98 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.403 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.407 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -91.42 -40.52 11.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.49 ' NE2' ' NE2' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -58.6 -29.64 66.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.731 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -113.69 -70.73 0.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.427 ' O ' ' HB2' ' A' ' 42' ' ' MET . 0.2 OUTLIER 172.67 -56.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.288 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.864 ' HA ' HG23 ' A' ' 37' ' ' THR . 0.2 OUTLIER 177.05 36.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.993 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.731 ' H ' HD12 ' A' ' 40' ' ' LEU . 5.7 tt0 -85.68 51.93 2.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.342 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.712 ' HA ' HG22 ' A' ' 47' ' ' VAL . 22.6 tttt -45.86 -23.46 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.446 ' N ' ' C ' ' A' ' 43' ' ' GLU . 2.6 mtm180 -67.74 -44.31 77.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 110.236 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 43' ' ' GLU . 0.8 OUTLIER -75.66 -37.58 59.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.712 HG22 ' HA ' ' A' ' 44' ' ' LYS . 1.0 OUTLIER -72.23 -27.47 26.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.558 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 0.8 OUTLIER -73.42 -58.74 3.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -60.25 -30.12 69.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 46' ' ' GLU . . . -75.2 -44.88 43.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.57 ' HB3' ' CZ2' ' A' ' 70' ' ' TRP . 0.2 OUTLIER -62.66 -42.02 99.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 109.323 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.558 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 24.8 m-85 -64.32 -67.02 0.47 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 111.045 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -43.01 -48.3 5.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.767 HD12 HG11 ' A' ' 19' ' ' VAL . 12.1 mt -63.07 -39.4 94.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' TYR . 2.5 tt0 -59.51 -51.05 71.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -69.53 -21.92 63.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.691 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 1.7 m -82.33 -30.22 30.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.041 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 85.36 23.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.457 ' CG ' ' HB3' ' A' ' 57' ' ' SER . 0.1 OUTLIER -83.68 -11.42 57.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.617 HG22 ' HB3' ' A' ' 54' ' ' LEU . 6.7 m -152.18 161.42 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.544 ' CD2' ' HA ' ' A' ' 73' ' ' THR . 1.9 m-85 -125.2 -167.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.4 t -126.47 160.35 30.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.989 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -86.23 -25.41 25.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.051 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 75.05 22.85 1.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -143.11 173.74 11.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.539 HD12 ' HA ' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -106.83 137.88 19.62 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.539 ' HA ' HD12 ' A' ' 66' ' ' ILE . 18.2 Cg_endo -75.0 173.14 59.46 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.996 0.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.465 ' HD3' HD12 ' A' ' 66' ' ' ILE . 18.3 Cg_endo -75.05 107.47 2.49 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.492 1.786 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.75 128.24 55.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.57 ' CZ2' ' HB3' ' A' ' 51' ' ' LEU . 59.1 m95 -82.0 125.42 30.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 108.008 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.507 ' CE1' ' HA3' ' A' ' 30' ' ' GLY . 3.8 m-30 -115.36 -169.12 1.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.477 ' HB2' ' CD1' ' A' ' 23' ' ' ILE . 1.0 OUTLIER -112.1 98.14 7.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 110.987 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.544 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 0.8 OUTLIER 37.22 87.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.5 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.392 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.999 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.15 -37.5 22.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -64.76 -47.62 77.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.1 mm -70.25 -34.54 59.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.999 HG23 ' O ' ' A' ' 15' ' ' ASN . 21.4 t -67.84 -35.19 71.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.63 ' HA ' HG22 ' A' ' 23' ' ' ILE . 49.9 t -78.88 -34.61 44.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 108.287 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -65.83 -33.79 76.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.58 -60.81 2.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.827 ' HA ' HD12 ' A' ' 26' ' ' ILE . 17.6 tt -49.35 -39.82 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -69.67 -51.04 38.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.3 m -53.07 -27.14 18.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.36 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.827 HD12 ' HA ' ' A' ' 23' ' ' ILE . 13.3 mt -75.86 -100.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.453 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 144.04 -74.2 0.32 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.473 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -114.65 -23.51 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.759 . . . . 0.0 109.293 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.532 ' CB ' ' CG2' ' A' ' 26' ' ' ILE . 1.8 tt0 -67.53 -7.49 26.37 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.755 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 36.75 -155.63 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.49 ' O ' HD12 ' A' ' 36' ' ' LEU . . . -121.31 89.27 3.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.9 t -81.19 174.38 11.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.371 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' LEU . . . -55.38 -65.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.345 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -37.83 -61.8 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.408 ' O ' ' NE2' ' A' ' 39' ' ' GLN . 21.0 mt-30 -55.26 -40.23 70.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.927 ' O ' HD21 ' A' ' 40' ' ' LEU . 2.3 mt -75.07 -2.51 27.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.778 HG23 ' HA ' ' A' ' 42' ' ' MET . 99.7 m -112.1 -15.0 13.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.431 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.18 -33.81 9.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.408 ' NE2' ' O ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -62.1 -29.4 70.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.927 HD21 ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -104.23 -104.17 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.418 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.5 OUTLIER -161.54 25.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.778 ' HA ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER 75.4 41.88 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 111.023 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.511 ' H ' HD12 ' A' ' 40' ' ' LEU . 8.2 mm-40 -96.22 59.94 1.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.695 ' HA ' HG12 ' A' ' 47' ' ' VAL . 7.3 ttpt -45.35 -25.38 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.438 ' N ' ' C ' ' A' ' 43' ' ' GLU . 1.8 mtt85 -63.87 -51.32 65.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.421 ' HG2' ' CB ' ' A' ' 43' ' ' GLU . 7.9 pt-20 -76.07 -37.69 57.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.695 HG12 ' HA ' ' A' ' 44' ' ' LYS . 0.4 OUTLIER -67.81 -25.79 33.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.554 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 27.5 m-20 -76.88 -59.81 2.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -52.96 -32.78 47.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.59 -65.79 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.516 ' HG ' ' CE2' ' A' ' 70' ' ' TRP . 4.9 mp -41.43 -42.52 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.554 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 13.2 m-85 -61.98 -67.19 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -44.29 -48.71 9.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.884 HD13 ' SD ' ' A' ' 59' ' ' MET . 22.3 mt -58.64 -46.38 87.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -55.18 -38.99 69.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.26 -17.21 50.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.704 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 8.3 t -85.44 -36.76 20.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.021 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 86.05 22.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.884 ' SD ' HD13 ' A' ' 54' ' ' LEU . 1.1 ptm -80.78 -19.83 43.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.618 HG13 ' HE2' ' A' ' 59' ' ' MET . 34.8 m -135.34 163.72 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.523 ' CD2' ' HA ' ' A' ' 73' ' ' THR . 1.8 m-85 -125.37 -166.97 1.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 31.2 t -125.21 168.15 13.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.576 1.173 . . . . 0.0 109.979 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.591 ' OG ' ' CZ ' ' A' ' 71' ' ' PHE . 4.7 m -89.83 -28.84 19.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.995 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.4 ' CB ' ' O ' ' A' ' 63' ' ' SER . 2.7 m-20 75.47 42.35 0.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -170.23 177.56 4.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.732 HG23 ' HA ' ' A' ' 67' ' ' PRO . 5.1 mp -109.12 139.5 21.04 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.732 ' HA ' HG23 ' A' ' 66' ' ' ILE . 18.3 Cg_endo -74.96 173.46 57.74 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.059 -0.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 123.73 8.1 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.48 1.779 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 25.0 mtp85 -133.23 138.53 46.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.516 ' CE2' ' HG ' ' A' ' 51' ' ' LEU . 23.1 m95 -91.13 121.11 32.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 108.01 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.591 ' CZ ' ' OG ' ' A' ' 63' ' ' SER . 6.3 m-30 -108.1 -170.4 1.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 111.063 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.48 ' O ' ' C ' ' A' ' 73' ' ' THR . 1.4 ttp -116.53 95.08 4.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.97 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.682 HG23 ' O ' ' A' ' 73' ' ' THR . 12.9 t 32.24 89.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.392 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.9 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.399 179.942 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.852 ' O ' HG23 ' A' ' 19' ' ' VAL . 13.8 t-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.02 -44.32 4.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.429 ' OE1' ' N ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -68.72 -36.96 79.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.46 ' N ' ' O ' ' A' ' 15' ' ' ASN . 14.5 mm -71.74 -49.04 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 15' ' ' ASN . 4.0 t -55.11 -41.45 59.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.592 ' HA ' HG22 ' A' ' 23' ' ' ILE . 17.3 t -68.82 -63.47 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 108.299 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -42.12 -27.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.42 ' N ' ' C ' ' A' ' 20' ' ' CYS . . . -78.97 -64.88 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.764 ' O ' HD13 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -54.17 -19.01 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.1 -44.07 13.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.88 -32.59 70.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.383 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.629 HG22 ' N ' ' A' ' 27' ' ' GLY . 6.7 mt -68.27 -101.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.629 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 155.11 -80.49 0.18 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.45 ' O ' HD12 ' A' ' 28' ' ' ILE . 0.7 OUTLIER -114.04 -18.82 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 0.794 . . . . 0.0 109.276 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.434 ' CB ' ' CG2' ' A' ' 26' ' ' ILE . 1.8 tt0 -67.97 -6.37 21.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.337 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.495 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 37.2 -155.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.724 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -124.4 87.61 2.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.458 ' O ' ' CD1' ' A' ' 36' ' ' LEU . 3.6 t -84.27 163.07 19.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.403 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . -53.33 -58.0 8.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -37.27 -65.7 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.79 -42.23 64.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.768 HD23 ' HB ' ' A' ' 47' ' ' VAL . 2.9 mp -66.03 -10.96 44.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.787 HG23 ' HA ' ' A' ' 42' ' ' MET . 92.9 m -107.05 -17.36 14.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 110.461 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.9 -51.63 4.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.07 -31.49 7.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.743 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -103.7 -77.98 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.481 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.3 OUTLIER 171.71 -40.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.787 ' HA ' HG23 ' A' ' 37' ' ' THR . 2.4 mtt 161.84 40.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.743 ' H ' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -92.98 53.21 1.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.34 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.734 ' HA ' HG22 ' A' ' 47' ' ' VAL . 2.1 tttt -53.34 -19.07 2.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -68.28 -48.49 64.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -71.49 -39.97 70.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.768 ' HB ' HD23 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -69.93 -28.37 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.597 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -69.59 -56.09 8.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.322 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.02 -27.47 69.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.94 -37.25 48.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.945 HD22 ' CE2' ' A' ' 70' ' ' TRP . 24.3 mt -71.31 -41.0 70.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.597 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 28.9 m-85 -65.7 -58.68 5.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -51.8 -53.21 42.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.682 ' HB3' HG22 ' A' ' 60' ' ' VAL . 12.3 mt -57.62 -44.65 85.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.422 ' NE2' ' HD2' ' A' ' 56' ' ' ARG . 1.8 tt0 -51.5 -51.92 51.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.422 ' HD2' ' NE2' ' A' ' 55' ' ' GLN . 0.2 OUTLIER -72.37 -17.96 61.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.608 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 50.4 m -81.44 -28.38 34.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 78.39 15.03 1.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.356 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.409 ' HG3' HG13 ' A' ' 60' ' ' VAL . 1.5 tpp -77.22 -19.68 56.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.461 1.1 . . . . 0.0 111.034 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.682 HG22 ' HB3' ' A' ' 54' ' ' LEU . 15.4 m -136.52 157.78 37.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.537 ' CD2' ' HA ' ' A' ' 73' ' ' THR . 1.9 m-85 -125.66 -168.54 1.86 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 111.041 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.99 160.55 29.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.959 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 52.8 m -87.86 -14.82 38.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.994 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 60.47 25.11 14.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -147.88 169.5 19.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.231 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.739 HG23 ' HA ' ' A' ' 67' ' ' PRO . 4.9 mp -100.7 140.14 21.13 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.739 ' HA ' HG23 ' A' ' 66' ' ' ILE . 18.2 Cg_endo -75.01 172.51 62.68 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 121.021 -2.491 . . . . 0.0 111.025 0.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 108.81 2.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.522 1.801 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 48.2 mtt180 -124.17 135.16 53.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.945 ' CE2' HD22 ' A' ' 51' ' ' LEU . 51.8 m95 -87.6 122.27 31.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 108.001 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.47 ' CE1' ' HA3' ' A' ' 30' ' ' GLY . 5.9 m-30 -109.44 -169.24 1.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.577 ' HB3' HD12 ' A' ' 23' ' ' ILE . 5.7 ptm -114.06 97.2 6.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.966 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.651 HG23 ' O ' ' A' ' 73' ' ' THR . 9.8 t 32.73 89.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.391 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.0 p . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.371 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 1.002 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.24 -37.38 4.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 18' ' ' ILE . 13.2 pt-20 -65.88 -46.73 77.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.432 HD13 ' HA ' ' A' ' 18' ' ' ILE . 13.2 mm -70.87 -29.91 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 1.002 HG23 ' O ' ' A' ' 15' ' ' ASN . 15.6 t -68.98 -40.87 81.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.541 ' HA ' HG22 ' A' ' 23' ' ' ILE . 0.8 OUTLIER -75.06 -31.45 61.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 108.32 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -69.85 -42.27 73.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.26 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.38 -56.67 5.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.954 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -48.75 -41.8 12.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -68.19 -50.51 53.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -53.62 -28.41 32.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.422 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.954 HD12 ' HA ' ' A' ' 23' ' ' ILE . 44.5 mt -65.78 -100.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.657 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 138.47 -75.29 0.38 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.562 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -117.45 -26.0 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.781 ' HB3' HG23 ' A' ' 26' ' ' ILE . 1.3 tt0 -66.94 -5.26 11.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.584 1.178 . . . . 0.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.833 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 35.31 -154.43 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.832 ' HB1' HD12 ' A' ' 36' ' ' LEU . . . -142.47 96.34 2.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.567 HG23 ' N ' ' A' ' 33' ' ' ALA . 0.6 OUTLIER -79.28 -175.89 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.412 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.567 ' N ' HG23 ' A' ' 32' ' ' THR . . . -52.9 -77.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.49 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -33.42 -58.53 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -36.31 -85.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.085 . . . . 0.0 110.263 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.832 HD12 ' HB1' ' A' ' 31' ' ' ALA . 1.5 mp -43.76 -54.85 4.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.2 m -42.22 -25.54 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.399 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.422 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -91.33 -40.26 11.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 36' ' ' LEU . 1.9 mp0 -50.29 -28.37 7.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.772 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -100.98 -105.16 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.436 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.3 OUTLIER -163.86 25.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.253 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.436 ' CB ' ' O ' ' A' ' 41' ' ' ASN . 1.9 ttt 76.81 51.88 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.772 ' H ' HD12 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -110.95 69.38 0.68 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.684 ' HA ' HG12 ' A' ' 47' ' ' VAL . 10.2 tttt -40.6 -28.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -64.39 -48.97 73.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.603 ' CG ' HD13 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -78.16 -35.17 49.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.322 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.728 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -70.67 -25.24 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.574 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 23.4 m-20 -79.23 -56.3 4.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.238 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -58.98 -31.81 69.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.18 -52.95 12.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.784 HD11 HD22 ' A' ' 36' ' ' LEU . 5.6 mp -53.98 -45.96 71.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.574 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 19.5 m-85 -59.68 -67.43 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.55 -50.76 5.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.432 HD11 HG11 ' A' ' 19' ' ' VAL . 11.1 mt -53.8 -41.12 66.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.125 . . . . 0.0 109.352 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 52' ' ' TYR . 30.0 tt0 -66.05 -56.97 8.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.261 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -53.07 -23.47 7.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 110.303 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.739 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 1.5 p -88.96 -37.3 15.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.971 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.739 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 89.14 15.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -62.79 -24.29 67.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.428 HG23 ' HE3' ' A' ' 70' ' ' TRP . 13.7 m -137.34 167.79 22.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.539 ' CD2' ' HA ' ' A' ' 73' ' ' THR . 1.9 m-85 -125.26 -167.46 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.2 t -133.78 148.58 51.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.426 ' C ' ' N ' ' A' ' 65' ' ' ASP . 22.6 t -83.2 -11.14 58.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 t0 45.63 26.29 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.426 ' N ' ' C ' ' A' ' 63' ' ' SER . 0.8 OUTLIER -151.25 170.14 20.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.985 HD12 ' HD3' ' A' ' 68' ' ' PRO . 0.7 OUTLIER -89.15 138.03 29.14 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.3 Cg_endo -74.98 149.71 94.29 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.015 -0.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.985 ' HD3' HD12 ' A' ' 66' ' ' ILE . 18.4 Cg_endo -75.0 107.98 2.61 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.546 1.814 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.473 ' HB3' ' CB ' ' A' ' 32' ' ' THR . 0.0 OUTLIER -144.67 -176.74 5.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.497 ' CE2' ' HG ' ' A' ' 51' ' ' LEU . 7.7 m95 -109.04 133.7 52.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 108.044 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.562 ' CZ ' ' O ' ' A' ' 28' ' ' ILE . 2.5 m-30 -117.66 -168.76 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.466 ' HB2' ' CD1' ' A' ' 23' ' ' ILE . 36.8 ttp -114.89 98.14 6.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 111.055 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.539 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 0.7 OUTLIER 38.19 85.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.356 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.5 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 110.406 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.832 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.43 -35.24 0.98 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 18' ' ' ILE . 23.9 pt-20 -63.85 -46.72 83.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 15' ' ' ASN . 24.9 mt -73.97 -29.91 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 15' ' ' ASN . 17.3 t -68.33 -38.98 80.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.55 ' HA ' HG22 ' A' ' 23' ' ' ILE . 5.3 t -75.63 -34.56 60.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 108.289 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -68.17 -32.97 73.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.04 -61.01 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.876 ' HA ' HD12 ' A' ' 26' ' ' ILE . 12.2 tt -46.15 -43.2 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -66.08 -50.47 64.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -53.51 -25.8 18.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.454 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.876 HD12 ' HA ' ' A' ' 23' ' ' ILE . 42.0 mt -73.85 -100.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.528 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 141.28 -72.62 0.4 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.481 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.7 OUTLIER -118.83 -31.11 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.265 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.568 ' HB3' HG23 ' A' ' 26' ' ' ILE . 2.5 tp10 -63.56 -9.78 14.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.254 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.868 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 36.28 -154.62 0.01 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.882 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -124.72 89.16 3.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.52 ' O ' HD13 ' A' ' 36' ' ' LEU . 2.5 t -86.23 160.42 19.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.387 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 36' ' ' LEU . . . -51.7 -63.39 1.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -38.18 -53.78 1.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.493 ' NE2' ' NE2' ' A' ' 39' ' ' GLN . 6.3 tp60 -56.53 -46.89 80.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.882 HD11 ' HB1' ' A' ' 31' ' ' ALA . 9.7 mp -69.64 -6.59 32.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.994 HG23 ' HA ' ' A' ' 42' ' ' MET . 52.1 m -106.66 -15.71 14.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 110.412 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.49 -51.64 4.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.493 ' NE2' ' NE2' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -50.35 -35.52 28.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.313 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.693 HD21 ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -102.88 -77.5 0.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.447 ' O ' ' HB2' ' A' ' 42' ' ' MET . 0.3 OUTLIER 179.29 -56.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.994 ' HA ' HG23 ' A' ' 37' ' ' THR . 1.9 ttt 175.96 36.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.69 ' O ' HG13 ' A' ' 47' ' ' VAL . 1.2 mm-40 -85.33 50.94 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.263 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.754 ' HA ' HG22 ' A' ' 47' ' ' VAL . 13.3 ttpt -54.99 -17.29 3.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.1 ttm-85 -68.74 -46.53 68.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -74.34 -39.0 63.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.266 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.799 ' HB ' HD23 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -72.29 -25.91 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 7.3 t30 -73.21 -62.94 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.4 tptt -54.33 -37.98 65.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.0 -53.14 42.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.575 ' HB3' ' CZ2' ' A' ' 70' ' ' TRP . 0.5 OUTLIER -54.81 -65.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 109.258 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.407 ' O ' ' N ' ' A' ' 55' ' ' GLN . 0.6 OUTLIER -38.75 -63.07 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -44.13 -53.31 6.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.728 ' HB3' HG22 ' A' ' 60' ' ' VAL . 24.0 mt -55.08 -39.24 69.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 52' ' ' TYR . 29.5 tt0 -59.57 -47.53 85.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.23 -17.96 61.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.696 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 19.5 m -86.99 -33.36 19.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 84.34 22.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.412 ' CG ' ' HB3' ' A' ' 57' ' ' SER . 0.7 OUTLIER -85.6 -10.23 56.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.728 HG22 ' HB3' ' A' ' 54' ' ' LEU . 21.1 m -144.54 171.07 7.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.539 ' CD1' ' HA ' ' A' ' 73' ' ' THR . 11.1 m-85 -134.13 -174.64 3.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.5 t -120.21 164.17 16.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.989 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.9 m -89.68 -17.49 28.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.022 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 60.21 22.56 11.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.249 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -141.84 168.41 19.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.646 HD12 ' HA ' ' A' ' 67' ' ' PRO . 3.1 tp -104.57 135.28 19.34 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.646 ' HA ' HD12 ' A' ' 66' ' ' ILE . 18.3 Cg_endo -75.0 172.85 60.95 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.009 -0.021 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.637 ' HD3' HD12 ' A' ' 66' ' ' ILE . 18.4 Cg_endo -74.98 113.8 3.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.475 1.776 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 63.7 mtm-85 -121.46 126.41 49.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.575 ' CZ2' ' HB3' ' A' ' 51' ' ' LEU . 49.3 m95 -79.5 122.86 26.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 107.995 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.86 ' C ' HD11 ' A' ' 23' ' ' ILE . 5.5 m-30 -112.55 -170.97 1.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.416 ' O ' ' C ' ' A' ' 73' ' ' THR . 0.9 OUTLIER -118.47 106.45 12.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.692 ' O ' HG22 ' A' ' 73' ' ' THR . 0.7 OUTLIER 37.07 91.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.382 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.414 HG21 ' HD2' ' A' ' 71' ' ' PHE . 42.4 p . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.436 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.966 ' O ' HG23 ' A' ' 19' ' ' VAL . 13.7 t-20 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 1.01 ' HB1' HD21 ' A' ' 54' ' ' LEU . . . -41.42 -43.88 2.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.402 ' C ' ' OE1' ' A' ' 17' ' ' GLU . 0.7 OUTLIER -68.86 -39.9 79.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.35 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 15' ' ' ASN . 13.8 mm -68.42 -35.76 72.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.966 HG23 ' O ' ' A' ' 15' ' ' ASN . 2.7 t -66.95 -40.89 86.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.469 ' HA ' HG22 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -66.51 -40.37 89.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 108.291 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.19 -33.19 75.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.03 -62.42 1.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.591 HD11 ' CA ' ' A' ' 71' ' ' PHE . 2.5 tt -44.65 -38.57 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.56 -46.81 68.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.8 m -59.3 -28.3 66.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.651 HG21 ' N ' ' A' ' 30' ' ' GLY . 20.5 mm -60.57 -96.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.54 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 140.7 -71.15 0.43 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.932 HD13 ' N ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -119.68 -31.78 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.932 ' N ' HD13 ' A' ' 28' ' ' ILE . 1.2 tp10 -63.99 -11.09 25.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.651 ' N ' HG21 ' A' ' 26' ' ' ILE . . . 35.49 -154.13 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.511 1.132 . . . . 0.0 110.949 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.968 ' HB1' ' CD1' ' A' ' 36' ' ' LEU . . . -129.97 89.83 2.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 0.751 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.547 HG23 ' N ' ' A' ' 33' ' ' ALA . 6.2 t -81.33 -159.19 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.42 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.547 ' N ' HG23 ' A' ' 32' ' ' THR . . . -69.07 -75.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 35' ' ' GLN . . . -36.61 -58.56 0.72 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 34' ' ' ALA . 5.1 mm100 -34.71 -84.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.346 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.968 ' CD1' ' HB1' ' A' ' 31' ' ' ALA . 2.9 mp -44.39 -53.34 6.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.466 ' CG2' ' HA ' ' A' ' 42' ' ' MET . 19.4 m -42.83 -25.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.4 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.421 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -91.86 -41.39 10.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 36' ' ' LEU . 2.9 mp0 -51.66 -29.75 19.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.74 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -102.4 -104.67 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.423 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.4 OUTLIER -162.78 25.34 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.466 ' HA ' ' CG2' ' A' ' 37' ' ' THR . 8.6 ttm 76.21 51.87 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.74 ' H ' HD12 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -108.87 68.25 0.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.261 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.696 ' HA ' HG12 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -40.5 -29.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.257 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.452 ' N ' ' C ' ' A' ' 43' ' ' GLU . 1.2 mtm-85 -63.41 -49.14 74.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.343 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 43' ' ' GLU . 6.7 pt-20 -80.6 -36.25 33.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.696 HG12 ' HA ' ' A' ' 44' ' ' LYS . 0.4 OUTLIER -67.76 -25.35 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 32.7 t-20 -83.99 -47.44 10.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.21 -30.96 71.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.74 -52.08 9.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.877 HD13 ' NE1' ' A' ' 70' ' ' TRP . 13.4 mt -58.63 -33.59 70.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.529 ' CD2' ' N ' ' A' ' 53' ' ' ASP . 3.2 t80 -69.85 -62.37 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.529 ' N ' ' CD2' ' A' ' 52' ' ' TYR . 0.4 OUTLIER -49.55 -42.39 43.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 1.01 HD21 ' HB1' ' A' ' 16' ' ' ALA . 13.7 mt -65.04 -38.74 91.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -61.16 -42.84 99.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.332 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -80.46 -17.65 51.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.693 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 65.1 m -80.42 -31.53 37.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 83.69 16.64 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.435 ' HB2' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -76.66 -20.29 56.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 111.035 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.5 m -140.7 178.24 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.553 ' CD1' ' HA ' ' A' ' 73' ' ' THR . 15.6 m-85 -138.44 -179.61 5.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.66 154.73 33.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.039 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.0 t -81.01 -17.77 49.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 59.64 27.79 17.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -148.27 167.25 25.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.564 ' CG1' ' HA ' ' A' ' 67' ' ' PRO . 8.4 tt -102.52 135.95 19.44 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.564 ' HA ' ' CG1' ' A' ' 66' ' ' ILE . 18.3 Cg_endo -74.98 169.46 74.5 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.991 -2.504 . . . . 0.0 110.973 -0.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 117.11 4.78 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.515 1.797 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.41 ' NH1' ' HD2' ' A' ' 67' ' ' PRO . 8.3 mtm-85 -128.27 129.18 45.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.877 ' NE1' HD13 ' A' ' 51' ' ' LEU . 49.8 m95 -83.19 121.78 27.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 107.979 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.591 ' CA ' HD11 ' A' ' 23' ' ' ILE . 3.7 m-30 -115.73 175.98 5.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.496 ' HE1' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -100.23 109.99 22.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.674 ' O ' HG22 ' A' ' 73' ' ' THR . 0.8 OUTLIER 37.2 90.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.375 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.3 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.404 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 1.01 ' O ' HG23 ' A' ' 19' ' ' VAL . 17.7 t30 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.54 -45.64 3.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.65 -38.62 80.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.239 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 15' ' ' ASN . 18.1 mt -69.33 -32.3 52.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 1.01 HG23 ' O ' ' A' ' 15' ' ' ASN . 2.8 t -70.97 -39.77 75.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.493 ' HA ' HG22 ' A' ' 23' ' ' ILE . 1.7 m -69.71 -34.32 73.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 108.335 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.91 -37.63 76.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.7 -56.35 7.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.547 HG22 ' O ' ' A' ' 19' ' ' VAL . 4.3 tt -51.15 -42.95 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.6 -51.25 70.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 m -60.47 -24.5 65.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.393 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.64 HG21 ' N ' ' A' ' 30' ' ' GLY . 2.1 mm -74.77 -100.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.508 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 136.22 -69.18 0.52 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.543 1.152 . . . . 0.0 111.022 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.536 ' C ' HD12 ' A' ' 28' ' ' ILE . 0.5 OUTLIER -116.39 -31.79 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 0.786 . . . . 0.0 109.343 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.492 ' HB3' HG23 ' A' ' 26' ' ' ILE . 1.5 tt0 -64.96 -8.84 17.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.64 ' N ' HG21 ' A' ' 26' ' ' ILE . . . 36.42 -155.69 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.438 1.086 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 1.027 ' HB1' ' CD1' ' A' ' 36' ' ' LEU . . . -116.44 91.82 3.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.432 ' HB ' ' CZ ' ' A' ' 69' ' ' ARG . 1.6 t -79.42 -175.54 4.78 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 110.395 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.405 ' N ' HG23 ' A' ' 32' ' ' THR . . . -57.14 -73.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -39.5 -51.01 2.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.44 ' O ' ' NE2' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -38.12 -84.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.027 ' CD1' ' HB1' ' A' ' 31' ' ' ALA . 6.6 mp -48.08 -52.15 21.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.652 HG23 ' HA ' ' A' ' 42' ' ' MET . 13.3 m -42.22 -25.37 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 110.429 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.433 ' N ' ' C ' ' A' ' 36' ' ' LEU . 25.6 mtp85 -93.37 -38.98 11.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.249 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.473 ' NE2' ' N ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -53.12 -31.63 43.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.704 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -97.48 -103.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.447 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.3 OUTLIER -160.52 24.57 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.652 ' HA ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER 77.92 39.52 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 110.933 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.704 ' H ' HD12 ' A' ' 40' ' ' LEU . 9.0 mm-40 -98.65 64.34 1.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.341 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.629 ' HA ' HG12 ' A' ' 47' ' ' VAL . 27.1 tttt -39.53 -29.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.458 ' N ' ' C ' ' A' ' 43' ' ' GLU . 8.8 mtt-85 -60.77 -51.37 69.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.36 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.5 ' CG ' HD13 ' A' ' 40' ' ' LEU . 7.0 pt-20 -75.67 -37.31 59.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.802 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -66.58 -27.8 41.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 4.0 m-20 -75.97 -63.16 1.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.96 -27.82 46.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.437 ' CB ' ' O ' ' A' ' 46' ' ' GLU . . . -77.71 -45.4 24.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.843 HD11 HD22 ' A' ' 36' ' ' LEU . 4.6 mp -60.62 -39.97 90.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -67.16 -59.06 3.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.38 -45.63 35.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.413 HD22 ' HB2' ' A' ' 59' ' ' MET . 13.5 mt -66.6 -35.46 80.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -61.44 -43.76 98.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.449 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 0.5 OUTLIER -82.26 -17.27 46.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.32 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.667 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 21.6 t -77.9 -30.88 50.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 82.11 18.32 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.413 ' HB2' HD22 ' A' ' 54' ' ' LEU . 0.8 OUTLIER -79.87 -20.6 45.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.447 HG23 ' HE3' ' A' ' 70' ' ' TRP . 8.8 m -143.03 164.07 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.526 ' CD2' ' N ' ' A' ' 74' ' ' THR . 1.9 m-85 -126.05 -169.01 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.67 164.05 21.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.953 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.2 t -89.45 -14.78 34.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.007 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.8 t70 54.43 42.03 31.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -169.8 157.69 7.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.77 HG23 ' HA ' ' A' ' 67' ' ' PRO . 4.7 mp -91.9 140.54 24.86 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.77 ' HA ' HG23 ' A' ' 66' ' ' ILE . 18.3 Cg_endo -75.04 170.2 72.5 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.047 -2.48 . . . . 0.0 110.983 0.003 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 135.84 19.52 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 0.0 110.989 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.432 ' CZ ' ' HB ' ' A' ' 32' ' ' THR . 1.6 mtp85 -154.46 135.28 13.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.522 ' CE2' ' HG ' ' A' ' 51' ' ' LEU . 28.7 m95 -87.52 123.07 32.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 108.016 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.52 ' CZ ' ' O ' ' A' ' 28' ' ' ILE . 8.3 m-30 -112.74 -169.25 1.44 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.482 ' O ' HG22 ' A' ' 73' ' ' THR . 7.8 ttp -111.71 99.54 8.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.701 ' O ' HG22 ' A' ' 74' ' ' THR . 0.6 OUTLIER 57.87 156.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.411 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.701 HG22 ' O ' ' A' ' 73' ' ' THR . 15.1 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.403 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.501 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.5 -38.21 63.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.245 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 18' ' ' ILE . 26.7 pt-20 -62.33 -45.92 91.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.436 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 5.3 mt -74.64 -38.93 46.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.647 ' O ' HG22 ' A' ' 23' ' ' ILE . 55.7 t -63.52 -29.67 47.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.545 ' HA ' HG22 ' A' ' 23' ' ' ILE . 1.7 m -80.51 -39.09 28.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 108.31 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.06 -35.33 80.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.41 -61.58 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.647 HG22 ' O ' ' A' ' 19' ' ' VAL . 15.2 tt -46.3 -37.72 3.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.359 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -67.74 -50.82 55.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.4 m -55.16 -25.46 32.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.447 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.621 HG21 ' N ' ' A' ' 30' ' ' GLY . 4.2 mm -68.43 -100.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.5 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 136.36 -68.9 0.52 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.541 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -116.58 -31.7 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.775 . . . . 0.0 109.348 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 30' ' ' GLY . 0.7 OUTLIER -64.02 -10.54 22.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.621 ' N ' HG21 ' A' ' 26' ' ' ILE . . . 36.84 -156.12 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.58 ' O ' HD12 ' A' ' 36' ' ' LEU . . . -130.84 95.66 3.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 0.719 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.451 ' HG1' ' HG2' ' A' ' 69' ' ' ARG . 1.1 t -79.83 160.25 26.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.422 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' LEU . . . -41.5 -67.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -37.78 -61.23 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -54.97 -40.69 70.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.989 ' O ' HD21 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -74.17 -3.64 30.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.662 HG23 ' HA ' ' A' ' 42' ' ' MET . 54.1 m -112.68 -12.97 13.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.347 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.56 -34.96 8.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -29.47 66.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.989 HD21 ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -100.6 -103.16 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -161.85 25.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.662 ' HA ' HG23 ' A' ' 37' ' ' THR . 30.0 mtp 73.2 46.89 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.052 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 46' ' ' GLU . 1.0 OUTLIER -98.19 61.0 1.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.15 . . . . 0.0 110.336 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.726 ' HA ' HG12 ' A' ' 47' ' ' VAL . 3.2 ttmm -41.78 -28.34 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.249 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.433 ' N ' ' C ' ' A' ' 43' ' ' GLU . 72.5 mtm-85 -65.01 -48.96 72.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 43' ' ' GLU . 10.9 pt-20 -79.83 -36.48 36.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.804 HG21 ' O ' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -69.35 -24.3 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 14.2 t-20 -81.68 -55.54 4.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.85 -31.91 65.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.94 -61.59 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.706 HD13 ' O ' ' A' ' 47' ' ' VAL . 6.4 mp -43.06 -37.27 1.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.53 ' CD2' ' N ' ' A' ' 53' ' ' ASP . 3.1 t80 -69.36 -62.88 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.53 ' N ' ' CD2' ' A' ' 52' ' ' TYR . 3.8 t0 -45.68 -48.39 15.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 58' ' ' ALA . 48.8 mt -59.38 -48.33 82.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -55.09 25.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.454 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 9.4 mpt_? -67.2 -18.29 65.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.652 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 34.0 m -85.41 -33.23 22.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.02 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 82.03 5.84 1.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.338 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.4 tpt -61.93 -29.01 69.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.9 m -125.73 164.19 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.529 ' CD2' ' HA ' ' A' ' 73' ' ' THR . 1.5 m-85 -124.9 -166.54 1.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 t -130.69 173.41 10.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.986 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 7.7 t -89.62 -38.58 13.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 63' ' ' SER . 6.1 t0 81.99 25.64 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -153.13 170.19 21.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.274 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.527 ' CG1' ' HA ' ' A' ' 67' ' ' PRO . 8.8 tt -106.85 134.87 19.66 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.527 ' HA ' ' CG1' ' A' ' 66' ' ' ILE . 18.3 Cg_endo -74.96 159.62 97.74 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.008 -0.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 147.69 34.43 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.539 1.81 . . . . 0.0 111.037 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.451 ' HG2' ' HG1' ' A' ' 32' ' ' THR . 48.0 mtt85 -151.61 141.86 22.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.453 ' CE2' ' HG ' ' A' ' 51' ' ' LEU . 37.9 m95 -86.5 119.29 26.6 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.562 ' CD1' ' HA3' ' A' ' 30' ' ' GLY . 5.5 m-30 -109.93 -170.13 1.59 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' THR . 9.9 tmm? -118.77 92.42 3.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.529 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 0.5 OUTLIER 37.45 90.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 110.396 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.4 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.424 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 1.001 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.74 -43.91 38.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.107 . . . . 0.0 109.266 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -39.04 88.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.3 mt -74.46 -39.17 47.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.423 1.077 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 1.001 HG23 ' O ' ' A' ' 15' ' ' ASN . 3.9 t -64.6 -34.53 70.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.584 ' HA ' HG22 ' A' ' 23' ' ' ILE . 46.8 t -72.17 -42.95 65.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 108.297 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -59.79 -36.12 76.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.98 -65.45 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.727 ' O ' HD13 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -47.49 -31.9 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 20' ' ' CYS . 9.0 tttp -70.28 -52.33 23.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.1 m -54.35 -28.56 43.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 110.368 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.54 HG22 ' N ' ' A' ' 27' ' ' GLY . 21.1 mm -61.24 -98.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.54 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 148.64 -75.99 0.26 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.57 1.169 . . . . 0.0 111.039 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.495 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -116.89 -26.24 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 109.343 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.465 ' H ' HD13 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -66.55 -8.49 27.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.499 ' HA3' ' CE1' ' A' ' 71' ' ' PHE . . . 36.42 -155.25 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.449 1.093 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.485 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -126.17 94.83 4.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 0.752 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.57 HG23 ' N ' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -80.79 174.55 11.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 110.408 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.57 ' N ' HG23 ' A' ' 32' ' ' THR . . . -55.2 -67.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 35' ' ' GLN . . . -37.93 -56.16 1.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 34' ' ' ALA . 2.6 mt-30 -35.7 -75.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.516 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 9.5 mp -47.61 -48.59 28.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.414 1.071 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.903 HG23 ' HA ' ' A' ' 42' ' ' MET . 37.4 m -51.82 -20.59 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.397 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 35' ' ' GLN . 1.3 ttp-105 -94.79 -33.51 12.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.1 -30.09 70.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.629 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -110.36 -64.63 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 42' ' ' MET . 0.3 OUTLIER 164.97 -56.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.903 ' HA ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER 173.04 37.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 111.013 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.629 ' H ' HD12 ' A' ' 40' ' ' LEU . 3.4 tt0 -79.88 52.36 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.641 ' HA ' HG12 ' A' ' 47' ' ' VAL . 39.3 ttmt -49.21 -24.6 1.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -52.5 57.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -77.48 -33.79 54.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.667 ' O ' HD23 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -69.93 -26.65 30.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.559 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 34.8 m-20 -77.75 -57.67 3.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -30.62 63.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.47 -58.55 3.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.844 HD12 ' CD2' ' A' ' 70' ' ' TRP . 0.8 OUTLIER -48.96 -43.94 40.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.559 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 16.0 m-85 -60.89 -67.45 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.957 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -42.02 -52.61 4.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.5 mt -58.96 -39.61 82.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' TYR . 41.5 tt0 -54.6 -49.59 70.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.288 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -73.68 -19.68 60.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.591 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 68.1 m -79.48 -28.63 41.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.074 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 77.19 12.92 2.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.419 ' CE ' ' O ' ' A' ' 59' ' ' MET . 5.6 tpt -70.6 -18.86 62.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 110.998 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 28.2 m -132.11 169.29 22.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.234 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.493 ' CG ' ' HA ' ' A' ' 73' ' ' THR . 0.7 OUTLIER -127.65 -169.36 2.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.67 156.01 45.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.984 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.7 t -88.65 -11.11 46.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.976 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 51.03 43.31 29.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -164.1 152.25 12.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.494 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 3.5 mt -84.34 136.4 40.36 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.3 Cg_endo -74.96 155.28 99.98 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.031 -2.487 . . . . 0.0 111.005 -0.002 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 114.42 4.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.537 ' HD2' ' CZ ' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -128.22 154.11 46.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.844 ' CD2' HD12 ' A' ' 51' ' ' LEU . 42.5 m95 -97.3 129.29 44.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.019 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.637 ' HA ' HD11 ' A' ' 23' ' ' ILE . 7.9 m-30 -112.88 -170.98 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 111.068 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.444 ' O ' ' C ' ' A' ' 73' ' ' THR . 3.5 ttp -116.96 95.85 5.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.493 ' HA ' ' CG ' ' A' ' 61' ' ' TYR . 8.4 t 35.23 55.89 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 110.388 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.1 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 1.004 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.97 -38.6 23.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -39.86 92.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.252 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.8 mt -73.96 -37.32 47.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 1.004 HG23 ' O ' ' A' ' 15' ' ' ASN . 7.1 t -62.46 -41.4 91.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.572 ' HA ' HG22 ' A' ' 23' ' ' ILE . 3.2 t -70.12 -39.85 75.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 108.328 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -30.02 70.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.34 -61.45 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.975 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -52.82 -26.98 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 20' ' ' CYS . 0.1 OUTLIER -78.75 -48.65 14.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.5 m -58.63 -35.29 72.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.378 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.975 HD12 ' HA ' ' A' ' 23' ' ' ILE . 23.4 mt -58.78 -99.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.513 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 136.27 -68.42 0.53 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.101 . . . . 0.0 111.014 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.576 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -115.18 -33.25 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 0.784 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.457 ' C ' HG21 ' A' ' 26' ' ' ILE . 0.8 OUTLIER -65.14 -9.3 21.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.34 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.975 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 36.75 -156.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.934 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -137.4 95.59 3.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 t -80.06 179.36 7.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.349 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . -58.02 -74.16 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -38.98 -49.25 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -37.5 -78.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.934 HD11 ' HB1' ' A' ' 31' ' ' ALA . 9.4 mp -46.91 -49.47 20.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.898 HG23 ' HA ' ' A' ' 42' ' ' MET . 82.0 m -48.88 -22.42 0.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.4 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.26 -38.97 11.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -60.36 -29.45 68.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.667 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -110.65 -70.82 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 172.85 -54.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.898 ' HA ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER 173.46 37.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.667 ' H ' HD12 ' A' ' 40' ' ' LEU . 7.4 mt-10 -93.05 55.37 2.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.32 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.756 ' HA ' HG22 ' A' ' 47' ' ' VAL . 0.5 OUTLIER -52.93 -16.02 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.432 ' N ' ' C ' ' A' ' 43' ' ' GLU . 1.3 mpt_? -66.56 -45.41 79.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -76.23 -32.63 59.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.097 . . . . 0.0 110.339 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.756 HG22 ' HA ' ' A' ' 44' ' ' LYS . 0.9 OUTLIER -77.94 -26.32 14.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 44' ' ' LYS . 12.7 t30 -74.71 -49.73 20.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.42 -33.36 74.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.86 -37.83 64.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 1.057 HD22 ' CD2' ' A' ' 70' ' ' TRP . 41.7 mt -73.74 -33.95 64.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.083 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -66.85 -44.53 80.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.64 -39.51 77.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.0 mt -69.59 -27.48 65.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.362 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -81.71 -30.26 32.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.428 ' N ' ' HD2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -81.67 -24.52 36.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.751 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 2.0 p -84.69 -34.23 23.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.751 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 89.82 20.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -74.63 -29.87 61.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.6 m -121.58 -156.82 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -174.1 -173.86 0.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 111.046 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.6 t -117.69 168.22 10.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 109.998 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 10.7 t -85.7 -30.67 22.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.962 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 63' ' ' SER . 3.6 t0 81.6 28.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -155.12 171.55 19.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.497 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -105.33 136.2 19.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.4 Cg_endo -74.97 166.54 82.96 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 121.008 -2.497 . . . . 0.0 111.026 -0.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 115.0 4.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 111.045 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.4 128.6 54.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.282 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 1.057 ' CD2' HD22 ' A' ' 51' ' ' LEU . 74.0 m95 -75.85 119.75 20.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 107.984 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.576 ' CZ ' ' O ' ' A' ' 28' ' ' ILE . 4.4 m-30 -114.06 -173.62 2.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.15 . . . . 0.0 111.038 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.403 ' C ' HG22 ' A' ' 73' ' ' THR . 39.3 ttp -110.82 72.83 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.403 HG22 ' C ' ' A' ' 72' ' ' MET . 1.3 t 38.91 73.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.5 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.356 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.758 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.58 -32.45 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 18' ' ' ILE . 13.1 pt-20 -70.27 -46.57 64.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.352 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 15' ' ' ASN . 30.4 mt -73.36 -32.54 37.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' ' 15' ' ' ASN . 33.6 t -65.78 -41.23 89.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.406 ' HA ' HG22 ' A' ' 23' ' ' ILE . 2.2 m -69.39 -43.72 72.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 108.276 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -64.67 -27.17 68.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.16 -61.14 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.787 ' HA ' HD12 ' A' ' 26' ' ' ILE . 10.9 tt -51.25 -30.66 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -73.41 -53.3 11.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 m -51.27 -30.32 17.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 110.387 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.813 HD13 ' O ' ' A' ' 30' ' ' GLY . 23.8 mt -71.65 -100.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.491 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 131.91 -67.04 0.57 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.533 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -115.9 -29.59 2.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 0.786 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.559 ' CB ' HG23 ' A' ' 26' ' ' ILE . 1.2 tp10 -65.4 -9.09 22.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.813 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 36.8 -155.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.773 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -131.65 95.18 3.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.788 . . . . 0.0 109.328 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.466 ' CB ' ' HB3' ' A' ' 69' ' ' ARG . 1.2 t -78.84 178.91 7.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.412 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . -67.3 -68.53 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -37.82 -58.48 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.455 ' HB2' HG22 ' A' ' 32' ' ' THR . 1.6 mt-30 -36.54 -71.56 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.843 HD23 ' CG2' ' A' ' 47' ' ' VAL . 8.5 mp -49.34 -45.55 45.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.897 HG23 ' HA ' ' A' ' 42' ' ' MET . 82.7 m -57.12 -17.75 12.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.369 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -95.97 -31.76 12.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 110.283 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -66.57 -28.89 68.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 110.286 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.805 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -110.65 -73.93 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.447 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.2 OUTLIER 173.41 -43.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.897 ' HA ' HG23 ' A' ' 37' ' ' THR . 2.4 mtm 164.33 41.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.805 ' H ' HD12 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -98.26 59.38 1.35 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.352 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.4 OUTLIER -65.96 -16.3 63.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.09 . . . . 0.0 109.27 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -56.2 19.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.43 ' OE2' HG23 ' A' ' 47' ' ' VAL . 0.9 OUTLIER -72.37 -38.04 68.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.843 ' CG2' HD23 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -68.05 -24.82 30.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.532 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 9.2 m-20 -74.47 -58.1 3.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -57.14 -30.87 64.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.347 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.95 -53.41 10.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.874 HD23 ' CE2' ' A' ' 70' ' ' TRP . 3.0 mp -53.45 -47.05 70.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.532 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 23.3 m-85 -58.46 -64.93 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.35 -46.42 9.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.0 mt -61.78 -38.93 89.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' TYR . 1.3 tm0? -58.31 -44.54 88.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.319 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.01 -18.94 55.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.706 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 29.9 t -79.44 -28.53 41.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 86.14 28.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.65 -18.66 21.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 111.009 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.436 HG23 ' N ' ' A' ' 61' ' ' TYR . 2.8 m -141.96 -165.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.436 ' N ' HG23 ' A' ' 60' ' ' VAL . 8.4 t80 -168.53 -177.57 3.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.8 t -121.41 146.9 46.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.01 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.84 -34.28 22.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.998 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 61.92 18.33 9.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -138.38 149.94 46.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.509 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 2.3 tt -81.4 134.2 51.98 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.3 Cg_endo -74.97 143.68 78.58 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 120.977 -2.51 . . . . 0.0 111.049 -0.033 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.2 Cg_endo -75.02 147.51 33.95 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.566 ' HG3' ' CE1' ' A' ' 71' ' ' PHE . 8.7 ptp180 176.72 173.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.874 ' CE2' HD23 ' A' ' 51' ' ' LEU . 22.4 m95 -94.88 127.43 40.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 108.023 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.566 ' CE1' ' HG3' ' A' ' 69' ' ' ARG . 4.4 m-30 -115.17 -176.11 2.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.501 ' CG ' ' O ' ' A' ' 72' ' ' MET . 3.3 ptp -101.63 71.19 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 72' ' ' MET . 1.0 OUTLIER 36.29 88.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.392 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.5 p . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.417 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.739 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.471 ' HB1' HD21 ' A' ' 54' ' ' LEU . . . -46.63 -40.25 12.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.73 -44.12 97.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.413 HD13 ' HA ' ' A' ' 18' ' ' ILE . 1.4 mm -73.85 -41.42 53.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 15' ' ' ASN . 39.4 t -59.49 -36.65 65.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.763 ' O ' HG22 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -68.75 -63.21 1.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 108.302 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -45.59 -29.31 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.07 -54.56 9.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.864 ' HA ' HD12 ' A' ' 26' ' ' ILE . 6.0 tt -53.87 -26.69 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.81 -49.57 17.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.24 -31.17 63.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.368 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.896 HD13 ' O ' ' A' ' 30' ' ' GLY . 46.5 mt -65.31 -100.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.503 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 139.82 -72.08 0.42 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 110.959 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.524 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -117.08 -29.56 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.771 . . . . 0.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 30' ' ' GLY . 0.4 OUTLIER -64.7 -9.77 22.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.233 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.896 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 36.16 -154.69 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.684 ' HB1' ' CD1' ' A' ' 36' ' ' LEU . . . -139.49 97.71 3.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 0.771 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.492 HG23 ' N ' ' A' ' 33' ' ' ALA . 15.2 t -82.88 -152.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.431 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.492 ' N ' HG23 ' A' ' 32' ' ' THR . . . -72.39 -73.48 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 35' ' ' GLN . . . -39.78 -48.88 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 34' ' ' ALA . 3.6 mm100 -38.39 -81.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.684 ' CD1' ' HB1' ' A' ' 31' ' ' ALA . 9.4 mp -46.03 -50.48 15.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.96 HG23 ' HA ' ' A' ' 42' ' ' MET . 25.9 m -47.86 -22.91 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.409 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.87 -45.88 8.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -52.38 -29.34 23.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 110.267 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.726 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -110.18 -73.88 0.67 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.421 ' O ' ' HB3' ' A' ' 42' ' ' MET . 0.3 OUTLIER 176.18 -50.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.96 ' HA ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER 167.28 39.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.726 ' H ' HD12 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -91.68 55.4 2.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.763 ' HA ' HG22 ' A' ' 47' ' ' VAL . 19.2 tttt -45.95 -23.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.408 ' N ' ' C ' ' A' ' 43' ' ' GLU . 0.4 OUTLIER -68.5 -42.55 78.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.269 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.473 ' CG ' ' HB3' ' A' ' 43' ' ' GLU . 0.6 OUTLIER -77.42 -37.62 51.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.763 HG22 ' HA ' ' A' ' 44' ' ' LYS . 1.0 OUTLIER -73.95 -26.59 21.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 9.0 t30 -75.18 -51.77 12.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.66 -32.11 73.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.63 -43.08 49.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.941 HD22 ' CD2' ' A' ' 70' ' ' TRP . 29.9 mt -66.93 -34.9 78.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.508 ' CD2' ' N ' ' A' ' 53' ' ' ASP . 1.7 t80 -66.68 -58.39 5.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.508 ' N ' ' CD2' ' A' ' 52' ' ' TYR . 2.7 t0 -51.11 -51.56 52.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.471 HD21 ' HB1' ' A' ' 16' ' ' ALA . 21.4 mt -55.35 -40.94 71.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.57 -49.74 76.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -70.44 -17.74 63.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.682 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 25.1 t -86.33 -34.26 20.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 84.08 18.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.402 ' CG ' ' OG ' ' A' ' 57' ' ' SER . 0.0 OUTLIER -78.97 -24.86 43.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.989 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.403 ' CG1' HD13 ' A' ' 54' ' ' LEU . 33.2 m -120.08 -171.84 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.561 ' CZ ' ' C ' ' A' ' 74' ' ' THR . 15.9 t80 -135.14 168.87 18.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.37 138.68 47.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.17 -24.47 54.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.02 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 64.19 41.19 6.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -158.46 169.62 24.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.341 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.555 HD12 ' HD3' ' A' ' 68' ' ' PRO . 4.6 tp -103.36 132.64 20.9 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.531 ' HA ' HD12 ' A' ' 66' ' ' ILE . 18.2 Cg_endo -75.03 172.8 61.22 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.961 -2.516 . . . . 0.0 110.989 0.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.555 ' HD3' HD12 ' A' ' 66' ' ' ILE . 18.1 Cg_endo -74.99 107.54 2.51 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.775 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 -108.18 120.11 41.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.941 ' CD2' HD22 ' A' ' 51' ' ' LEU . 61.3 m95 -92.61 124.96 37.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 107.969 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.616 ' CA ' HD11 ' A' ' 23' ' ' ILE . 4.0 m-30 -115.58 -167.77 1.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.499 ' O ' ' C ' ' A' ' 73' ' ' THR . 0.0 OUTLIER -117.23 101.59 8.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.69 HG23 ' O ' ' A' ' 73' ' ' THR . 13.1 t 30.09 90.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.561 ' C ' ' CZ ' ' A' ' 61' ' ' TYR . 2.7 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.381 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.974 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.72 -40.23 9.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 18' ' ' ILE . 14.9 pt-20 -61.69 -44.06 97.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.346 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' A' ' 18' ' ' ILE . 19.8 mm -74.77 -31.78 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.974 HG23 ' O ' ' A' ' 15' ' ' ASN . 14.9 t -69.3 -31.91 51.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.582 ' HA ' HG22 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -82.14 -39.57 23.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 108.287 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -66.22 -34.68 78.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.45 -60.56 2.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.69 HG22 ' O ' ' A' ' 19' ' ' VAL . 11.5 tt -48.59 -38.62 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -66.07 -60.19 3.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -46.93 -28.98 1.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 110.419 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.631 HG21 ' N ' ' A' ' 30' ' ' GLY . 1.8 mm -67.31 -100.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.491 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 134.01 -66.96 0.56 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.115 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.409 HG13 ' N ' ' A' ' 29' ' ' GLU . 0.6 OUTLIER -116.77 -32.8 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.505 0.768 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.457 ' CB ' HG23 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -62.16 -12.19 18.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.347 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.631 ' N ' HG21 ' A' ' 26' ' ' ILE . . . 35.46 -153.17 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.8 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -118.75 82.52 1.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 0.738 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.34 149.79 25.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 110.394 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 36' ' ' LEU . . . -40.8 -63.84 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -38.68 -52.56 1.67 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.127 . . . . 0.0 109.352 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -43.0 99.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.8 HD11 ' HB1' ' A' ' 31' ' ' ALA . 2.2 mp -66.75 -10.68 49.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.75 HG23 ' HA ' ' A' ' 42' ' ' MET . 22.0 m -104.4 -21.59 13.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.396 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.41 -53.21 4.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.284 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.04 -28.08 3.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.695 HD21 ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -114.87 -95.68 0.46 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.496 ' O ' ' HB2' ' A' ' 42' ' ' MET . 0.3 OUTLIER -157.86 -56.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.75 ' HA ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER 172.35 40.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.965 ' O ' HG13 ' A' ' 47' ' ' VAL . 0.8 OUTLIER -79.47 48.6 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.769 ' HA ' HG22 ' A' ' 47' ' ' VAL . 17.4 tttt -51.08 -29.04 11.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -70.91 -44.44 66.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.403 ' HG3' ' HB3' ' A' ' 43' ' ' GLU . 0.9 OUTLIER -76.47 -40.93 48.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.965 HG13 ' O ' ' A' ' 43' ' ' GLU . 1.2 m -70.27 -26.34 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.544 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 4.3 t-20 -73.55 -59.55 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.242 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.51 -32.98 65.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.07 -49.61 35.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.85 HD23 ' CE2' ' A' ' 70' ' ' TRP . 6.2 mp -59.93 -31.34 69.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.541 ' CD2' ' N ' ' A' ' 53' ' ' ASP . 2.9 t80 -67.6 -64.99 0.75 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.035 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.541 ' N ' ' CD2' ' A' ' 52' ' ' TYR . 2.6 t0 -46.24 -45.31 17.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 54.4 mt -64.28 -37.61 88.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.571 1.169 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -59.23 -38.91 81.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -86.4 -16.9 35.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.684 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 49.2 m -83.57 -31.22 26.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.024 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.684 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 84.38 24.41 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.2 mmt -86.22 -17.69 34.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.3 m -141.04 158.33 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.514 ' CG ' ' HA ' ' A' ' 73' ' ' THR . 1.8 m-85 -125.37 -167.28 1.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.71 151.8 47.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.056 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.506 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -71.32 -34.39 70.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.039 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.506 ' CB ' ' O ' ' A' ' 63' ' ' SER . 6.3 t0 82.3 21.85 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.16 166.77 27.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.515 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 1.1 mp -96.08 139.53 21.83 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.4 Cg_endo -75.0 173.44 57.9 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.038 -0.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 116.99 4.76 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.513 1.796 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.8 mtp85 -128.85 142.3 51.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.85 ' CE2' HD23 ' A' ' 51' ' ' LEU . 25.1 m95 -91.9 120.79 32.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 108.035 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.575 ' C ' HD11 ' A' ' 23' ' ' ILE . 4.3 m-30 -109.3 -169.11 1.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.926 ' O ' HG22 ' A' ' 73' ' ' THR . 0.0 OUTLIER -113.2 97.84 6.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.926 HG22 ' O ' ' A' ' 72' ' ' MET . 9.2 t 56.11 156.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.352 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.706 HG22 ' O ' ' A' ' 73' ' ' THR . 15.0 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.383 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.5 t -175.22 -78.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.977 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.833 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -113.83 -31.99 6.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.49 -42.42 98.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.55 -40.0 92.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.0 mt -75.95 -32.76 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.241 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 15' ' ' ASN . 42.7 t -68.45 -36.54 75.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.438 ' HA ' HG22 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -75.42 -38.63 59.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 108.271 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.98 -29.65 68.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.45 -58.35 3.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.643 HD11 ' HG2' ' A' ' 72' ' ' MET . 0.0 OUTLIER -48.06 -46.63 12.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.35 -53.63 49.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -50.85 -25.25 4.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.647 HG21 ' HB3' ' A' ' 29' ' ' GLU . 85.6 mt -87.21 -100.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.557 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 155.57 -78.95 0.19 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.443 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.7 OUTLIER -113.09 -19.68 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.647 ' HB3' HG21 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -65.85 -9.26 27.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 29' ' ' GLU . . . 35.94 -155.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.501 1.126 . . . . 0.0 111.046 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.719 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -120.04 90.01 3.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.4 t -79.77 -172.48 3.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . -64.57 -73.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -38.66 -46.82 1.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -39.94 -81.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.719 HD11 ' HB1' ' A' ' 31' ' ' ALA . 9.8 mp -46.36 -51.15 15.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.752 HG23 ' HA ' ' A' ' 42' ' ' MET . 24.7 m -46.57 -23.55 0.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.147 . . . . 0.0 110.396 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.66 -40.34 10.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.35 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -58.04 -29.25 65.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.278 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.69 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -108.47 -75.29 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.466 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.3 OUTLIER 176.23 -47.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.752 ' HA ' HG23 ' A' ' 37' ' ' THR . 2.8 mtt 163.11 41.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.69 ' H ' HD12 ' A' ' 40' ' ' LEU . 3.3 mt-10 -90.01 55.52 3.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.339 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.547 ' HA ' HG12 ' A' ' 47' ' ' VAL . 23.7 mttt -54.17 -21.48 8.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -55.13 37.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.61 -36.31 44.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.726 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -64.45 -25.65 38.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.423 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 47.4 m-20 -82.05 -54.32 5.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -58.23 -32.98 68.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.12 -50.8 17.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.726 HD13 ' O ' ' A' ' 47' ' ' VAL . 5.8 mp -56.34 -35.22 67.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.262 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.42 ' CD2' ' N ' ' A' ' 53' ' ' ASP . 1.8 t80 -67.43 -54.43 20.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.42 ' N ' ' CD2' ' A' ' 52' ' ' TYR . 0.6 OUTLIER -55.94 -47.27 77.88 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.127 . . . . 0.0 109.256 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 54' ' ' LEU . 13.7 mt -64.71 -30.81 71.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -68.03 -34.87 77.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 110.255 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -87.32 -17.86 31.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.158 . . . . 0.0 110.345 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.715 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 20.0 p -79.07 -33.54 44.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.023 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 86.1 16.54 0.12 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.527 ' CG ' ' OG ' ' A' ' 57' ' ' SER . 4.9 mmt -78.4 -31.52 48.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.418 HG23 ' HE3' ' A' ' 70' ' ' TRP . 5.0 m -126.38 158.98 36.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.102 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.511 ' CD2' ' N ' ' A' ' 74' ' ' THR . 1.6 m-85 -124.75 -166.36 1.51 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.07 165.33 20.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.99 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.563 ' OG ' ' CZ ' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -79.16 -30.54 43.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.008 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 63' ' ' SER . 3.4 t0 80.36 29.71 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -166.22 162.39 17.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.751 HG23 ' HA ' ' A' ' 67' ' ' PRO . 12.4 mt -91.12 140.34 25.86 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.751 ' HA ' HG23 ' A' ' 66' ' ' ILE . 18.7 Cg_endo -74.96 170.4 71.91 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 121.018 -2.492 . . . . 0.0 111.006 -0.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 118.84 5.42 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.456 1.767 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.3 mtm-85 -127.05 131.14 51.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.284 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.636 ' NE1' HD23 ' A' ' 51' ' ' LEU . 76.5 m95 -82.63 120.78 25.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 107.981 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.563 ' CZ ' ' OG ' ' A' ' 63' ' ' SER . 7.2 m-30 -113.54 -169.68 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.912 ' O ' HG22 ' A' ' 73' ' ' THR . 0.3 OUTLIER -114.44 97.8 6.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.912 HG22 ' O ' ' A' ' 72' ' ' MET . 9.2 t 55.89 157.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.393 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.662 HG22 ' O ' ' A' ' 73' ' ' THR . 14.9 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.397 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.413 ' HA ' ' OE1' ' A' ' 17' ' ' GLU . 1.2 tpt85 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.445 ' N ' ' OE1' ' A' ' 17' ' ' GLU . 0.5 OUTLIER -176.61 -68.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.959 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.675 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -113.63 -53.8 2.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.512 ' HB1' HD21 ' A' ' 54' ' ' LEU . . . -41.65 -40.71 2.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.445 ' OE1' ' N ' ' A' ' 14' ' ' SER . 12.9 pt-20 -63.06 -45.97 89.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 15' ' ' ASN . 23.5 mt -72.41 -54.85 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 15' ' ' ASN . 18.8 t -44.62 -40.79 2.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.54 ' HA ' HG22 ' A' ' 23' ' ' ILE . 2.6 m -67.45 -65.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 108.3 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' CYS . 4.3 tt0 -39.05 -29.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 110.299 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 20' ' ' CYS . . . -75.31 -67.29 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.597 ' O ' HD13 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -51.31 -21.8 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -75.93 -51.18 13.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.332 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 m -56.58 -33.23 65.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.674 HG21 ' N ' ' A' ' 30' ' ' GLY . 42.6 mm -55.76 -100.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.508 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 137.25 -69.34 0.51 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.517 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -117.24 -31.82 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.76 . . . . 0.0 109.329 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.478 ' HB3' HG23 ' A' ' 26' ' ' ILE . 0.9 OUTLIER -65.61 -8.72 21.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.674 ' N ' HG21 ' A' ' 26' ' ' ILE . . . 36.56 -155.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.724 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -133.43 94.89 3.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 0.735 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.545 HG22 ' HG3' ' A' ' 35' ' ' GLN . 14.7 t -80.08 -157.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.358 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.431 ' N ' HG23 ' A' ' 32' ' ' THR . . . -79.18 -71.18 0.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -38.89 -50.05 1.7 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.545 ' HG3' HG22 ' A' ' 32' ' ' THR . 1.2 mt-30 -38.44 -78.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.724 HD11 ' HB1' ' A' ' 31' ' ' ALA . 9.6 mp -47.0 -49.2 21.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.899 HG23 ' HA ' ' A' ' 42' ' ' MET . 22.3 m -51.4 -20.05 1.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 110.405 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 35' ' ' GLN . 1.0 OUTLIER -94.1 -36.52 12.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -29.62 70.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.67 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -110.36 -66.12 1.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.431 ' O ' ' HB2' ' A' ' 42' ' ' MET . 0.3 OUTLIER 167.39 -57.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.899 ' HA ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER 175.94 36.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 111.016 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.67 ' H ' HD12 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -82.07 51.52 1.78 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.689 ' HA ' HG12 ' A' ' 47' ' ' VAL . 0.8 OUTLIER -51.79 -22.98 4.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.77 -50.82 65.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.436 ' CG ' ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -78.79 -35.18 44.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.689 HG12 ' HA ' ' A' ' 44' ' ' LYS . 0.4 OUTLIER -69.79 -24.88 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 14.1 t30 -81.11 -54.44 5.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.2 tttm -59.06 -33.25 70.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.73 -50.56 23.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.667 HD23 ' NE1' ' A' ' 70' ' ' TRP . 5.0 mp -57.22 -34.19 68.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.41 ' CD2' ' N ' ' A' ' 53' ' ' ASP . 1.8 t80 -67.49 -53.74 26.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.41 ' N ' ' CD2' ' A' ' 52' ' ' TYR . 1.3 t0 -56.97 -50.78 71.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.525 HD22 ' HB2' ' A' ' 59' ' ' MET . 31.4 mt -56.66 -38.88 72.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -60.32 -46.31 90.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -74.78 -16.54 60.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 110.303 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.69 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 19.2 m -85.46 -34.16 21.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.025 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 84.54 21.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.525 ' HB2' HD22 ' A' ' 54' ' ' LEU . 1.0 OUTLIER -80.02 -14.64 58.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 110.947 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.4 m -145.51 164.59 11.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.503 ' CG ' ' HA ' ' A' ' 73' ' ' THR . 1.9 m-85 -125.7 -167.12 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.964 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.0 t -127.03 158.62 36.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.148 . . . . 0.0 109.946 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.465 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 5.2 t -73.55 -33.64 64.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 63' ' ' SER . 1.1 t70 79.52 38.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -169.21 167.67 10.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.522 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 1.3 mp -99.48 137.21 20.26 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.1 Cg_endo -75.01 171.0 70.32 Favored 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.99 -2.504 . . . . 0.0 110.991 -0.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 131.92 14.88 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.793 . . . . 0.0 111.048 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.426 ' NH1' ' HG2' ' A' ' 67' ' ' PRO . 8.8 mtm-85 -138.53 138.87 38.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.667 ' NE1' HD23 ' A' ' 51' ' ' LEU . 61.9 m95 -89.63 120.68 31.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 108.0 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.517 ' CZ ' ' O ' ' A' ' 28' ' ' ILE . 4.3 m-30 -114.05 -169.44 1.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.43 ' C ' HG22 ' A' ' 73' ' ' THR . 2.1 ttp -115.59 101.19 8.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 111.025 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.503 ' HA ' ' CG ' ' A' ' 61' ' ' TYR . 1.6 t 40.51 72.14 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.369 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.7 t . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 110.388 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.406 ' N ' ' OE2' ' A' ' 17' ' ' GLU . 0.1 OUTLIER 172.84 -65.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.933 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.2 OUTLIER -113.38 -50.47 2.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.336 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.403 ' HB2' HD21 ' A' ' 54' ' ' LEU . . . -40.99 -33.29 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.422 ' CG ' ' N ' ' A' ' 18' ' ' ILE . 13.5 pt-20 -67.28 -49.89 62.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.458 HD13 ' HA ' ' A' ' 18' ' ' ILE . 14.5 mm -72.05 -42.44 67.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.476 ' O ' HG22 ' A' ' 23' ' ' ILE . 88.9 t -56.03 -43.85 76.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.595 ' HA ' HG22 ' A' ' 23' ' ' ILE . 22.7 t -68.58 -48.97 62.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 108.282 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -26.66 21.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.43 ' C ' ' N ' ' A' ' 24' ' ' LYS . . . -84.9 -69.03 0.68 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.821 ' O ' HD13 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -44.13 -27.55 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.43 ' N ' ' C ' ' A' ' 22' ' ' ALA . 0.9 OUTLIER -82.09 -55.8 4.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 m -51.12 -26.2 6.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.423 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.666 HD13 ' O ' ' A' ' 30' ' ' GLY . 72.2 mt -73.04 -100.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.523 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 148.76 -75.04 0.27 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.493 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.7 OUTLIER -112.91 -25.76 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 0.758 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.508 ' CB ' ' CG2' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -65.8 -9.32 27.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.265 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.666 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 36.24 -155.15 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.485 1.115 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.528 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -130.41 94.76 3.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 109.347 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.443 ' CB ' ' HG3' ' A' ' 69' ' ' ARG . 1.3 t -79.39 -179.18 6.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.395 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . -61.01 -67.07 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 35' ' ' GLN . . . -39.84 -50.38 2.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 34' ' ' ALA . 0.2 OUTLIER -37.17 -82.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.528 HD11 ' HB1' ' A' ' 31' ' ' ALA . 8.9 mp -44.78 -51.87 8.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.577 HG23 ' HA ' ' A' ' 42' ' ' MET . 5.3 m -44.41 -26.48 0.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.406 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.401 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -89.61 -45.84 9.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -51.83 -29.1 18.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.335 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.72 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -109.76 -78.21 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.466 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.2 OUTLIER 178.9 -47.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.577 ' HA ' HG23 ' A' ' 37' ' ' THR . 2.3 mtm 162.71 41.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.72 ' H ' HD12 ' A' ' 40' ' ' LEU . 2.3 mm-40 -83.26 52.94 2.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.683 ' HA ' HG12 ' A' ' 47' ' ' VAL . 5.9 tttp -45.06 -27.23 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.412 ' N ' ' C ' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -65.96 -49.03 69.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 110.305 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.495 ' OE1' ' CB ' ' A' ' 43' ' ' GLU . 4.3 pt-20 -77.31 -37.18 53.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.683 HG12 ' HA ' ' A' ' 44' ' ' LYS . 0.3 OUTLIER -68.1 -28.59 41.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.531 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 9.7 m-20 -75.27 -59.86 2.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -55.81 -29.56 59.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.03 -58.2 3.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.82 HD12 ' CE2' ' A' ' 70' ' ' TRP . 0.6 OUTLIER -49.69 -42.97 46.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.531 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 17.9 m-85 -62.2 -67.95 0.37 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -41.72 -50.19 4.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.403 HD21 ' HB2' ' A' ' 16' ' ' ALA . 15.2 mt -60.28 -41.77 94.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 52' ' ' TYR . 2.7 tp-100 -58.31 -49.82 75.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.256 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -70.75 -18.89 62.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.695 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 8.5 m -84.72 -32.7 23.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.973 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.695 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 84.98 21.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.73 -18.73 58.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.4 m -144.33 166.21 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.509 ' CG ' ' HA ' ' A' ' 73' ' ' THR . 1.9 m-85 -126.46 -169.24 1.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.6 141.45 49.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.507 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 1.0 OUTLIER -52.12 -39.8 60.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.004 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 63' ' ' SER . 1.5 t70 82.44 20.84 0.26 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.08 161.65 41.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.242 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.556 ' CG1' ' HA ' ' A' ' 67' ' ' PRO . 5.8 tt -92.95 135.92 25.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.556 ' HA ' ' CG1' ' A' ' 66' ' ' ILE . 18.2 Cg_endo -75.06 157.77 99.34 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.006 -2.497 . . . . 0.0 110.982 0.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 138.87 23.61 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 110.983 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.443 ' HG3' ' CB ' ' A' ' 32' ' ' THR . 1.3 mpt_? -148.75 141.23 24.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.82 ' CE2' HD12 ' A' ' 51' ' ' LEU . 86.5 m95 -82.74 117.85 22.95 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.501 ' CE1' ' HA3' ' A' ' 30' ' ' GLY . 6.4 m-30 -111.43 -170.12 1.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.526 ' CG ' ' O ' ' A' ' 72' ' ' MET . 1.8 ptt? -114.96 101.52 9.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.664 HG23 ' O ' ' A' ' 73' ' ' THR . 9.2 t 32.35 85.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.379 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.2 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.378 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.453 ' N ' ' OE2' ' A' ' 17' ' ' GLU . 0.2 OUTLIER 175.92 -61.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.995 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.955 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -113.11 -51.35 2.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.93 -38.49 3.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.453 ' OE2' ' N ' ' A' ' 14' ' ' SER . 13.8 pt-20 -64.05 -46.39 84.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.42 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 2.9 mm -71.52 -34.27 52.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.955 HG23 ' O ' ' A' ' 15' ' ' ASN . 8.7 t -66.65 -34.84 72.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.465 ' HA ' HG22 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -74.01 -40.79 62.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 108.276 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.42 -28.01 67.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.258 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.495 ' CB ' ' OE1' ' A' ' 39' ' ' GLN . . . -78.53 -60.9 2.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.787 HD11 ' C ' ' A' ' 71' ' ' PHE . 11.5 tt -46.89 -41.52 5.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.356 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -69.46 -50.98 40.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.71 -27.88 19.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.446 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.688 HD13 ' O ' ' A' ' 30' ' ' GLY . 67.6 mt -72.03 -101.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.623 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 151.56 -78.11 0.21 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.115 . . . . 0.0 110.969 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.518 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -116.31 -27.73 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -62.74 -11.87 20.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.688 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 33.97 -151.73 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.618 ' HB1' ' CD1' ' A' ' 36' ' ' LEU . . . -130.2 98.59 4.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 0.794 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.712 HG23 ' O ' ' A' ' 32' ' ' THR . 15.1 t -93.37 67.22 4.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.477 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . 64.12 -76.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.477 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -33.41 -53.54 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' ALA . 1.4 mm100 -37.58 -71.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.618 ' CD1' ' HB1' ' A' ' 31' ' ' ALA . 9.7 mp -51.7 -45.69 63.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.821 HG23 ' HA ' ' A' ' 42' ' ' MET . 60.0 m -54.2 -19.21 4.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.39 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.6 mtt-85 -96.01 -33.95 11.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.143 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.495 ' OE1' ' CB ' ' A' ' 22' ' ' ALA . 0.6 OUTLIER -63.42 -29.09 70.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.765 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -109.83 -78.65 0.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.47 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.2 OUTLIER 179.77 -42.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.821 ' HA ' HG23 ' A' ' 37' ' ' THR . 3.9 mtt 162.97 41.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.941 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.765 ' H ' HD12 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -95.84 54.97 1.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.755 ' HA ' HG22 ' A' ' 47' ' ' VAL . 12.1 ttmt -49.21 -19.35 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.457 ' N ' ' C ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -67.97 -47.6 68.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 47' ' ' VAL . 0.2 OUTLIER -73.01 -36.37 66.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.24 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.755 HG22 ' HA ' ' A' ' 44' ' ' LYS . 1.0 OUTLIER -75.03 -25.86 18.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.549 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 21.6 m-20 -71.74 -56.73 5.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -62.68 -32.52 73.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.02 -42.23 66.6 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.564 ' HB3' ' CZ2' ' A' ' 70' ' ' TRP . 0.2 OUTLIER -64.8 -48.8 73.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.549 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 24.1 m-85 -55.86 -65.72 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -44.19 -54.52 5.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 54' ' ' LEU . 12.3 mt -56.94 -34.7 68.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -57.91 -49.19 77.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.337 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.72 -18.41 60.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.631 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 66.2 m -79.19 -29.28 42.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.965 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 79.36 10.32 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.9 tpt -70.64 -28.08 64.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 111.04 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.8 m -123.96 167.91 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.529 ' CD1' ' HA ' ' A' ' 73' ' ' THR . 1.8 m-85 -127.4 -170.33 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.6 t -137.46 168.37 19.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.03 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 t -80.23 -23.91 40.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.009 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 t0 73.99 22.1 2.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.23 168.62 25.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.649 HD12 ' HA ' ' A' ' 67' ' ' PRO . 1.2 tp -97.34 137.48 21.15 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.649 ' HA ' HD12 ' A' ' 66' ' ' ILE . 18.2 Cg_endo -75.02 172.22 64.13 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.019 -2.492 . . . . 0.0 110.959 0.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.596 ' HD3' HD12 ' A' ' 66' ' ' ILE . 18.2 Cg_endo -75.0 118.02 5.12 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.534 1.807 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -117.41 124.61 49.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.564 ' CZ2' ' HB3' ' A' ' 51' ' ' LEU . 66.3 m95 -82.86 118.29 23.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 108.037 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.787 ' C ' HD11 ' A' ' 23' ' ' ILE . 4.8 m-30 -114.85 -170.57 1.77 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.485 ' O ' HG22 ' A' ' 73' ' ' THR . 0.1 OUTLIER -119.17 99.95 7.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 111.055 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.529 ' HA ' ' CD1' ' A' ' 61' ' ' TYR . 4.6 t 45.36 54.43 7.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.392 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.479 HG22 ' HB3' ' A' ' 61' ' ' TYR . 15.2 t . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.409 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.4 t 178.69 -67.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.957 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.78 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -111.89 -50.06 2.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.44 -36.31 1.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -65.06 -47.46 77.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.455 ' HA ' HD13 ' A' ' 18' ' ' ILE . 16.8 mm -72.96 -27.62 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 15' ' ' ASN . 61.4 t -66.14 -45.25 90.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.581 ' HA ' HG22 ' A' ' 23' ' ' ILE . 14.0 p -73.1 -33.81 65.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 108.305 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -30.67 70.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.76 -61.11 2.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.872 ' HA ' HD12 ' A' ' 26' ' ' ILE . 8.5 tt -47.87 -39.82 8.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.69 -49.01 57.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.3 m -56.08 -27.72 54.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.384 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.982 HD13 ' O ' ' A' ' 30' ' ' GLY . 21.4 mt -72.72 -99.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.502 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 138.72 -69.43 0.49 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.444 1.09 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.52 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -115.48 -30.13 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 0.744 . . . . 0.0 109.325 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.427 ' C ' HG21 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -66.5 -8.47 26.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.982 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 36.6 -155.23 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -132.87 92.76 3.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 0.783 . . . . 0.0 109.248 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.606 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -80.0 174.29 11.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.394 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 36' ' ' LEU . . . -61.57 -62.03 2.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.1 -39.37 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -72.43 -41.67 65.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.719 ' O ' HD21 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -71.4 -6.85 43.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.251 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.884 HG23 ' HA ' ' A' ' 42' ' ' MET . 54.1 m -110.54 -21.94 11.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.07 -48.25 7.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -29.97 48.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.719 HD21 ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -107.73 -80.7 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.41 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.3 OUTLIER 179.62 -50.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.884 ' HA ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER 166.71 39.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.956 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.452 ' HB2' HD12 ' A' ' 40' ' ' LEU . 3.7 mp0 -88.18 53.94 2.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.538 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 20.8 tptt -56.4 -22.81 33.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -51.66 61.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -79.16 -34.55 43.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.538 HG13 HD12 ' A' ' 51' ' ' LEU . 1.0 OUTLIER -70.52 -23.63 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.538 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 5.3 t-20 -83.42 -48.08 10.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? -65.05 -33.3 75.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.8 -46.87 28.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.726 HD22 ' CD2' ' A' ' 70' ' ' TRP . 56.3 mt -65.19 -28.59 69.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.484 ' CE2' ' NH1' ' A' ' 56' ' ' ARG . 1.6 t80 -72.32 -50.52 26.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.409 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 0.9 OUTLIER -61.14 -40.2 92.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.1 mt -64.08 -43.58 95.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.49 -50.75 72.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.484 ' NH1' ' CE2' ' A' ' 52' ' ' TYR . 1.0 OUTLIER -71.55 -19.6 62.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.69 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 57.9 m -83.1 -31.75 27.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.028 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 84.56 18.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -78.24 -19.66 53.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.1 m -136.93 -157.58 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.409 ' CG ' ' N ' ' A' ' 62' ' ' SER . 5.7 t80 -174.33 -174.24 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.409 ' N ' ' CG ' ' A' ' 61' ' ' TYR . 0.1 OUTLIER -119.5 154.88 33.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.995 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.0 t -69.02 -16.08 63.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.1 t0 63.22 30.14 15.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -166.75 163.77 16.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.772 HG23 ' HA ' ' A' ' 67' ' ' PRO . 23.6 mt -89.55 141.13 28.44 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.772 ' HA ' HG23 ' A' ' 66' ' ' ILE . 18.4 Cg_endo -75.05 166.67 82.64 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 120.98 -2.508 . . . . 0.0 110.993 0.021 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 110.91 3.21 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.488 1.783 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.3 mtt180 -128.23 139.68 52.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.726 ' CD2' HD22 ' A' ' 51' ' ' LEU . 58.4 m95 -83.78 120.52 26.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 108.016 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.787 ' C ' HD11 ' A' ' 23' ' ' ILE . 4.3 m-30 -114.92 -173.52 2.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.495 ' O ' ' C ' ' A' ' 73' ' ' THR . 1.2 ptt? -109.18 76.0 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.683 HG23 ' O ' ' A' ' 73' ' ' THR . 12.0 t 30.27 68.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.373 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.4 t . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.396 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 169.66 -79.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 0.0 110.018 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 1.022 ' O ' HG23 ' A' ' 19' ' ' VAL . 24.5 t30 -103.49 -46.61 4.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.52 -42.32 2.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.4 ' C ' ' OE1' ' A' ' 17' ' ' GLU . 0.6 OUTLIER -71.04 -39.21 72.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.487 ' N ' ' O ' ' A' ' 15' ' ' ASN . 17.4 mm -69.62 -32.13 51.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 1.022 HG23 ' O ' ' A' ' 15' ' ' ASN . 2.6 t -71.08 -40.18 75.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.253 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.495 ' HA ' HG22 ' A' ' 23' ' ' ILE . 15.3 t -70.43 -37.73 74.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 108.31 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -68.47 -31.91 71.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.5 -59.81 2.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.815 ' HA ' HD12 ' A' ' 26' ' ' ILE . 11.5 tt -45.76 -46.02 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.368 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -66.16 -48.05 72.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -55.55 -25.09 35.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 110.401 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.815 HD12 ' HA ' ' A' ' 23' ' ' ILE . 23.0 mt -77.18 -100.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.507 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 151.71 -76.32 0.23 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.504 1.128 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.513 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.7 OUTLIER -113.01 -22.52 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.754 . . . . 0.0 109.296 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.695 ' HB3' HG21 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -64.93 -10.0 25.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.539 ' HA3' ' CD1' ' A' ' 71' ' ' PHE . . . 36.06 -154.58 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.118 . . . . 0.0 110.955 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.636 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -136.89 96.56 3.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 0.794 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.949 ' O ' HD13 ' A' ' 36' ' ' LEU . 7.3 t -80.37 -162.56 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.441 ' N ' HG23 ' A' ' 32' ' ' THR . . . -81.89 -59.31 2.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -37.44 -59.02 0.8 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.52 -45.32 73.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.137 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.949 HD13 ' O ' ' A' ' 32' ' ' THR . 7.3 mp -66.65 -9.91 40.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.967 HG23 ' HA ' ' A' ' 42' ' ' MET . 80.7 m -104.73 -17.71 14.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.368 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -92.32 -52.52 4.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.454 1.096 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.71 -30.14 5.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.332 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.737 HD21 ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -108.82 -80.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.422 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.3 OUTLIER -179.06 -51.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.967 ' HA ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER 165.97 39.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.989 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.604 ' H ' HD12 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -94.82 55.5 1.88 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 110.319 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.541 ' HA ' HG12 ' A' ' 47' ' ' VAL . 82.7 tttt -58.65 -18.4 30.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.2 mtt-85 -62.25 -54.7 36.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.253 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -76.12 -37.43 58.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.26 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.718 HG22 HD23 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -67.52 -24.21 30.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 3.5 t-20 -79.16 -54.67 5.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -59.75 -30.02 68.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.59 -44.75 41.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.764 HD11 HD22 ' A' ' 36' ' ' LEU . 32.9 mt -62.56 -42.49 99.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.49 ' CD1' ' O ' ' A' ' 48' ' ' ASN . 3.0 m-85 -64.41 -43.89 92.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -63.1 -49.99 72.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.489 ' HB3' HG23 ' A' ' 60' ' ' VAL . 12.5 mt -58.7 -44.85 90.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 55' ' ' GLN . 0.3 OUTLIER -53.0 -53.62 47.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -19.96 65.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.7 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 32.0 t -81.43 -29.23 33.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.008 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.7 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 86.0 31.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -96.61 -15.55 21.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.555 HG12 ' O ' ' A' ' 71' ' ' PHE . 2.1 t -143.65 167.8 12.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.519 ' CG ' ' HA ' ' A' ' 73' ' ' THR . 1.6 m-85 -129.08 -172.71 2.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -127.68 150.62 49.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.973 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.57 -29.79 59.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.98 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 68.75 20.83 8.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -139.91 167.87 21.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -100.38 137.11 19.89 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.55 ' HA ' HD12 ' A' ' 66' ' ' ILE . 18.3 Cg_endo -75.01 172.48 62.8 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.969 0.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.505 ' HD3' HD12 ' A' ' 66' ' ' ILE . 18.2 Cg_endo -75.01 120.1 5.92 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.493 1.786 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -135.99 141.48 44.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.644 ' CD2' HD22 ' A' ' 51' ' ' LEU . 22.0 m95 -90.23 128.41 36.38 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.771 ' C ' HD11 ' A' ' 23' ' ' ILE . 3.5 m-30 -116.28 -169.47 1.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.587 1.18 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.405 ' C ' HG22 ' A' ' 73' ' ' THR . 1.7 tpt -117.13 105.24 12.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.936 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.519 ' HA ' ' CG ' ' A' ' 61' ' ' TYR . 2.4 t 39.83 65.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.45 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.561 HG23 ' HD2' ' A' ' 71' ' ' PHE . 13.3 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.3 t 174.0 -82.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.969 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.985 ' O ' HG23 ' A' ' 19' ' ' VAL . 2.3 t-20 -113.08 -49.59 2.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -39.72 -52.03 2.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -62.04 -41.03 97.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.337 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' ASN . 22.0 mt -66.21 -36.63 77.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.985 HG23 ' O ' ' A' ' 15' ' ' ASN . 2.6 t -67.97 -33.4 61.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.472 ' HA ' HG22 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -74.99 -35.65 62.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 108.261 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -68.53 -32.64 72.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.19 -59.32 2.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.473 ' CD1' ' HG2' ' A' ' 72' ' ' MET . 0.0 OUTLIER -47.68 -44.59 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -61.58 -52.63 63.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -52.88 -26.2 14.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.406 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.577 HG22 ' N ' ' A' ' 27' ' ' GLY . 84.7 mt -78.61 -101.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.577 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 153.31 -78.89 0.2 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.418 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -114.11 -22.38 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.474 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 1.9 tt0 -62.87 -11.28 17.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 29' ' ' GLU . . . 36.2 -155.1 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.461 1.1 . . . . 0.0 111.033 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.775 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -120.14 87.36 2.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 0.764 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 t -81.36 179.55 7.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.381 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . -56.08 -76.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 35' ' ' GLN . . . -38.93 -47.57 1.46 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.661 ' NE2' HE22 ' A' ' 39' ' ' GLN . 0.0 OUTLIER -37.79 -78.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.293 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.775 HD11 ' HB1' ' A' ' 31' ' ' ALA . 10.4 mp -46.85 -49.16 20.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.939 HG23 ' HA ' ' A' ' 42' ' ' MET . 98.9 m -49.73 -21.81 1.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.424 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.3 -38.38 11.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.661 HE22 ' NE2' ' A' ' 35' ' ' GLN . 1.2 mp0 -61.57 -30.41 70.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.256 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.656 HD11 ' CG1' ' A' ' 47' ' ' VAL . 0.1 OUTLIER -110.56 -69.62 0.86 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 37' ' ' THR . 0.3 OUTLIER 172.35 -56.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.939 ' HA ' HG23 ' A' ' 37' ' ' THR . 4.8 ttp 176.38 35.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.622 ' H ' HD12 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -87.35 51.88 2.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 110.266 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.767 ' HA ' HG22 ' A' ' 47' ' ' VAL . 13.5 ttmt -47.9 -21.74 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 46' ' ' GLU . 1.1 ptm180 -68.59 -39.31 80.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -81.54 -35.86 29.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.911 ' O ' HD13 ' A' ' 51' ' ' LEU . 1.0 OUTLIER -74.65 -26.44 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 11.9 t-20 -78.78 -53.75 6.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -60.28 -33.73 72.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.12 -39.55 60.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.249 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.911 HD13 ' O ' ' A' ' 47' ' ' VAL . 4.1 mp -63.78 -41.38 97.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.411 ' CD1' ' N ' ' A' ' 53' ' ' ASP . 1.3 t80 -65.72 -51.22 61.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.411 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 0.4 OUTLIER -58.63 -57.62 12.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.599 HD22 ' HB2' ' A' ' 59' ' ' MET . 13.1 mt -53.87 -38.88 65.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -61.77 -46.58 88.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.262 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.407 ' CD ' ' O ' ' A' ' 52' ' ' TYR . 0.5 OUTLIER -68.39 -20.9 64.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.701 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 43.1 t -83.15 -32.57 26.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.933 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 85.83 26.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.599 ' HB2' HD22 ' A' ' 54' ' ' LEU . 0.7 OUTLIER -87.59 -16.28 34.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 71' ' ' PHE . 1.1 t -137.55 164.97 27.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.515 ' CG ' ' HA ' ' A' ' 73' ' ' THR . 1.6 m-85 -128.19 -172.01 2.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.5 t -127.44 161.38 28.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.039 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -90.11 -8.14 52.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.996 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 51.96 43.19 30.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.357 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -164.03 166.44 21.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.494 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 22.6 mt -101.69 136.78 19.5 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.2 Cg_endo -75.03 173.4 58.11 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.963 -2.515 . . . . 0.0 110.975 0.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 108.41 2.71 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.486 1.782 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.427 ' NH1' ' HG2' ' A' ' 67' ' ' PRO . 6.9 mtt85 -114.84 119.93 38.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.571 ' NE1' HD23 ' A' ' 51' ' ' LEU . 57.5 m95 -79.05 122.67 26.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 108.021 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.586 ' O ' HG12 ' A' ' 60' ' ' VAL . 6.0 m-30 -113.47 -169.47 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.473 ' HG2' ' CD1' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -117.03 99.92 7.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.976 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.515 ' HA ' ' CG ' ' A' ' 61' ' ' TYR . 1.8 t 42.36 69.4 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.416 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.349 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.5 t -120.14 -94.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.015 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 1.044 ' O ' HG23 ' A' ' 19' ' ' VAL . 2.2 p30 -99.46 -50.99 3.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.79 -44.8 14.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.494 ' OE2' ' CD1' ' A' ' 18' ' ' ILE . 0.8 OUTLIER -61.57 -37.33 83.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.26 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.494 ' CD1' ' OE2' ' A' ' 17' ' ' GLU . 38.3 mm -78.15 -32.74 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 1.044 HG23 ' O ' ' A' ' 15' ' ' ASN . 3.4 t -70.63 -32.94 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.482 ' HA ' HG22 ' A' ' 23' ' ' ILE . 1.3 m -81.49 -40.03 23.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 108.29 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -68.19 -32.3 72.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 110.295 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.85 -61.01 2.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.735 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -48.85 -38.67 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -49.85 50.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.9 m -53.86 -26.39 24.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.929 HD13 ' O ' ' A' ' 30' ' ' GLY . 91.7 mt -68.11 -101.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.695 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 143.26 -76.98 0.29 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.454 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -119.2 -21.83 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.788 . . . . 0.0 109.323 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.745 ' HB3' HG23 ' A' ' 26' ' ' ILE . 7.2 tt0 -68.27 -6.15 22.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.929 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 35.81 -154.32 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.544 1.152 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.901 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -135.88 90.96 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.23 170.03 10.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.402 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . -43.84 -74.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 35' ' ' GLN . . . -38.12 -54.44 1.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.49 ' NE2' ' NE2' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -36.05 -80.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.901 HD11 ' HB1' ' A' ' 31' ' ' ALA . 9.5 mp -44.91 -52.27 8.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.864 HG23 ' HA ' ' A' ' 42' ' ' MET . 20.5 m -45.08 -24.98 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.403 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.407 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -91.42 -40.52 11.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.49 ' NE2' ' NE2' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -58.6 -29.64 66.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.731 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -113.69 -70.73 0.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.427 ' O ' ' HB2' ' A' ' 42' ' ' MET . 0.2 OUTLIER 172.67 -56.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.288 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.864 ' HA ' HG23 ' A' ' 37' ' ' THR . 0.2 OUTLIER 177.05 36.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.993 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.731 ' H ' HD12 ' A' ' 40' ' ' LEU . 5.7 tt0 -85.68 51.93 2.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.342 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.712 ' HA ' HG22 ' A' ' 47' ' ' VAL . 22.6 tttt -45.86 -23.46 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.446 ' N ' ' C ' ' A' ' 43' ' ' GLU . 2.6 mtm180 -67.74 -44.31 77.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 110.236 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 43' ' ' GLU . 0.8 OUTLIER -75.66 -37.58 59.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.712 HG22 ' HA ' ' A' ' 44' ' ' LYS . 1.0 OUTLIER -72.23 -27.47 26.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.558 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 0.8 OUTLIER -73.42 -58.74 3.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -60.25 -30.12 69.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 46' ' ' GLU . . . -75.2 -44.88 43.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.57 ' HB3' ' CZ2' ' A' ' 70' ' ' TRP . 0.2 OUTLIER -62.66 -42.02 99.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 109.323 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.558 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 24.8 m-85 -64.32 -67.02 0.47 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 111.045 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -43.01 -48.3 5.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.767 HD12 HG11 ' A' ' 19' ' ' VAL . 12.1 mt -63.07 -39.4 94.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' TYR . 2.5 tt0 -59.51 -51.05 71.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -69.53 -21.92 63.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.691 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 1.7 m -82.33 -30.22 30.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.041 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 85.36 23.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.457 ' CG ' ' HB3' ' A' ' 57' ' ' SER . 0.1 OUTLIER -83.68 -11.42 57.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.617 HG22 ' HB3' ' A' ' 54' ' ' LEU . 6.7 m -152.18 161.42 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.544 ' CD2' ' HA ' ' A' ' 73' ' ' THR . 1.9 m-85 -125.2 -167.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.4 t -126.47 160.35 30.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.989 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -86.23 -25.41 25.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.051 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 75.05 22.85 1.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -143.11 173.74 11.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.539 HD12 ' HA ' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -106.83 137.88 19.62 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.539 ' HA ' HD12 ' A' ' 66' ' ' ILE . 18.2 Cg_endo -75.0 173.14 59.46 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.996 0.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.465 ' HD3' HD12 ' A' ' 66' ' ' ILE . 18.3 Cg_endo -75.05 107.47 2.49 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.492 1.786 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.75 128.24 55.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.57 ' CZ2' ' HB3' ' A' ' 51' ' ' LEU . 59.1 m95 -82.0 125.42 30.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 108.008 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.507 ' CE1' ' HA3' ' A' ' 30' ' ' GLY . 3.8 m-30 -115.36 -169.12 1.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.477 ' HB2' ' CD1' ' A' ' 23' ' ' ILE . 1.0 OUTLIER -112.1 98.14 7.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 110.987 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.544 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 0.8 OUTLIER 37.22 87.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.5 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.392 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.408 ' HA ' ' OE1' ' A' ' 17' ' ' GLU . 2.9 tpt180 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.8 t -158.39 -74.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.989 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.999 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -113.71 -45.2 3.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.15 -37.5 22.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.408 ' OE1' ' HA ' ' A' ' 13' ' ' ARG . 25.8 pt-20 -64.76 -47.62 77.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.1 mm -70.25 -34.54 59.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.999 HG23 ' O ' ' A' ' 15' ' ' ASN . 21.4 t -67.84 -35.19 71.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.63 ' HA ' HG22 ' A' ' 23' ' ' ILE . 49.9 t -78.88 -34.61 44.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 108.287 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -65.83 -33.79 76.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.58 -60.81 2.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.827 ' HA ' HD12 ' A' ' 26' ' ' ILE . 17.6 tt -49.35 -39.82 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -69.67 -51.04 38.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.3 m -53.07 -27.14 18.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.36 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.827 HD12 ' HA ' ' A' ' 23' ' ' ILE . 13.3 mt -75.86 -100.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.453 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 144.04 -74.2 0.32 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.473 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -114.65 -23.51 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.759 . . . . 0.0 109.293 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.532 ' CB ' ' CG2' ' A' ' 26' ' ' ILE . 1.8 tt0 -67.53 -7.49 26.37 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.755 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 36.75 -155.63 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.49 ' O ' HD12 ' A' ' 36' ' ' LEU . . . -121.31 89.27 3.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.9 t -81.19 174.38 11.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.371 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' LEU . . . -55.38 -65.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.345 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -37.83 -61.8 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.408 ' O ' ' NE2' ' A' ' 39' ' ' GLN . 21.0 mt-30 -55.26 -40.23 70.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.927 ' O ' HD21 ' A' ' 40' ' ' LEU . 2.3 mt -75.07 -2.51 27.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.778 HG23 ' HA ' ' A' ' 42' ' ' MET . 99.7 m -112.1 -15.0 13.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.431 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.18 -33.81 9.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.408 ' NE2' ' O ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -62.1 -29.4 70.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.927 HD21 ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -104.23 -104.17 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.418 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.5 OUTLIER -161.54 25.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.778 ' HA ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER 75.4 41.88 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 111.023 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.511 ' H ' HD12 ' A' ' 40' ' ' LEU . 8.2 mm-40 -96.22 59.94 1.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.695 ' HA ' HG12 ' A' ' 47' ' ' VAL . 7.3 ttpt -45.35 -25.38 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.438 ' N ' ' C ' ' A' ' 43' ' ' GLU . 1.8 mtt85 -63.87 -51.32 65.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.421 ' HG2' ' CB ' ' A' ' 43' ' ' GLU . 7.9 pt-20 -76.07 -37.69 57.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.695 HG12 ' HA ' ' A' ' 44' ' ' LYS . 0.4 OUTLIER -67.81 -25.79 33.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.554 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 27.5 m-20 -76.88 -59.81 2.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -52.96 -32.78 47.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.59 -65.79 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.516 ' HG ' ' CE2' ' A' ' 70' ' ' TRP . 4.9 mp -41.43 -42.52 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.554 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 13.2 m-85 -61.98 -67.19 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -44.29 -48.71 9.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.884 HD13 ' SD ' ' A' ' 59' ' ' MET . 22.3 mt -58.64 -46.38 87.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -55.18 -38.99 69.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.26 -17.21 50.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.704 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 8.3 t -85.44 -36.76 20.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.021 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 86.05 22.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.884 ' SD ' HD13 ' A' ' 54' ' ' LEU . 1.1 ptm -80.78 -19.83 43.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.618 HG13 ' HE2' ' A' ' 59' ' ' MET . 34.8 m -135.34 163.72 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.523 ' CD2' ' HA ' ' A' ' 73' ' ' THR . 1.8 m-85 -125.37 -166.97 1.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 31.2 t -125.21 168.15 13.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.576 1.173 . . . . 0.0 109.979 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.591 ' OG ' ' CZ ' ' A' ' 71' ' ' PHE . 4.7 m -89.83 -28.84 19.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.995 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.4 ' CB ' ' O ' ' A' ' 63' ' ' SER . 2.7 m-20 75.47 42.35 0.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -170.23 177.56 4.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.732 HG23 ' HA ' ' A' ' 67' ' ' PRO . 5.1 mp -109.12 139.5 21.04 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.732 ' HA ' HG23 ' A' ' 66' ' ' ILE . 18.3 Cg_endo -74.96 173.46 57.74 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.059 -0.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 123.73 8.1 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.48 1.779 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 25.0 mtp85 -133.23 138.53 46.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.516 ' CE2' ' HG ' ' A' ' 51' ' ' LEU . 23.1 m95 -91.13 121.11 32.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 108.01 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.591 ' CZ ' ' OG ' ' A' ' 63' ' ' SER . 6.3 m-30 -108.1 -170.4 1.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 111.063 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.48 ' O ' ' C ' ' A' ' 73' ' ' THR . 1.4 ttp -116.53 95.08 4.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.97 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.682 HG23 ' O ' ' A' ' 73' ' ' THR . 12.9 t 32.24 89.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.392 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.9 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.399 179.942 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 171.91 -84.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.027 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.852 ' O ' HG23 ' A' ' 19' ' ' VAL . 13.8 t-20 -116.37 -45.11 2.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.02 -44.32 4.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.429 ' OE1' ' N ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -68.72 -36.96 79.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.46 ' N ' ' O ' ' A' ' 15' ' ' ASN . 14.5 mm -71.74 -49.04 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 15' ' ' ASN . 4.0 t -55.11 -41.45 59.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.592 ' HA ' HG22 ' A' ' 23' ' ' ILE . 17.3 t -68.82 -63.47 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 108.299 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -42.12 -27.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.42 ' N ' ' C ' ' A' ' 20' ' ' CYS . . . -78.97 -64.88 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.764 ' O ' HD13 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -54.17 -19.01 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.1 -44.07 13.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.88 -32.59 70.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.383 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.629 HG22 ' N ' ' A' ' 27' ' ' GLY . 6.7 mt -68.27 -101.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.629 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 155.11 -80.49 0.18 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.45 ' O ' HD12 ' A' ' 28' ' ' ILE . 0.7 OUTLIER -114.04 -18.82 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 0.794 . . . . 0.0 109.276 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.434 ' CB ' ' CG2' ' A' ' 26' ' ' ILE . 1.8 tt0 -67.97 -6.37 21.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.337 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.495 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 37.2 -155.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.724 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -124.4 87.61 2.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.458 ' O ' ' CD1' ' A' ' 36' ' ' LEU . 3.6 t -84.27 163.07 19.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.403 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . -53.33 -58.0 8.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -37.27 -65.7 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.79 -42.23 64.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.768 HD23 ' HB ' ' A' ' 47' ' ' VAL . 2.9 mp -66.03 -10.96 44.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.787 HG23 ' HA ' ' A' ' 42' ' ' MET . 92.9 m -107.05 -17.36 14.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 110.461 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.9 -51.63 4.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.07 -31.49 7.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.743 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -103.7 -77.98 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.481 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.3 OUTLIER 171.71 -40.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.787 ' HA ' HG23 ' A' ' 37' ' ' THR . 2.4 mtt 161.84 40.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.743 ' H ' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -92.98 53.21 1.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.34 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.734 ' HA ' HG22 ' A' ' 47' ' ' VAL . 2.1 tttt -53.34 -19.07 2.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -68.28 -48.49 64.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -71.49 -39.97 70.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.768 ' HB ' HD23 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -69.93 -28.37 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.597 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -69.59 -56.09 8.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.322 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.02 -27.47 69.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.94 -37.25 48.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.945 HD22 ' CE2' ' A' ' 70' ' ' TRP . 24.3 mt -71.31 -41.0 70.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.597 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 28.9 m-85 -65.7 -58.68 5.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -51.8 -53.21 42.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.682 ' HB3' HG22 ' A' ' 60' ' ' VAL . 12.3 mt -57.62 -44.65 85.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.422 ' NE2' ' HD2' ' A' ' 56' ' ' ARG . 1.8 tt0 -51.5 -51.92 51.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.422 ' HD2' ' NE2' ' A' ' 55' ' ' GLN . 0.2 OUTLIER -72.37 -17.96 61.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.608 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 50.4 m -81.44 -28.38 34.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 78.39 15.03 1.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.356 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.409 ' HG3' HG13 ' A' ' 60' ' ' VAL . 1.5 tpp -77.22 -19.68 56.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.461 1.1 . . . . 0.0 111.034 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.682 HG22 ' HB3' ' A' ' 54' ' ' LEU . 15.4 m -136.52 157.78 37.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.537 ' CD2' ' HA ' ' A' ' 73' ' ' THR . 1.9 m-85 -125.66 -168.54 1.86 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 111.041 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.99 160.55 29.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.959 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 52.8 m -87.86 -14.82 38.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.994 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 60.47 25.11 14.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -147.88 169.5 19.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.231 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.739 HG23 ' HA ' ' A' ' 67' ' ' PRO . 4.9 mp -100.7 140.14 21.13 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.739 ' HA ' HG23 ' A' ' 66' ' ' ILE . 18.2 Cg_endo -75.01 172.51 62.68 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 121.021 -2.491 . . . . 0.0 111.025 0.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 108.81 2.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.522 1.801 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 48.2 mtt180 -124.17 135.16 53.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.945 ' CE2' HD22 ' A' ' 51' ' ' LEU . 51.8 m95 -87.6 122.27 31.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 108.001 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.47 ' CE1' ' HA3' ' A' ' 30' ' ' GLY . 5.9 m-30 -109.44 -169.24 1.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.577 ' HB3' HD12 ' A' ' 23' ' ' ILE . 5.7 ptm -114.06 97.2 6.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.966 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.651 HG23 ' O ' ' A' ' 73' ' ' THR . 9.8 t 32.73 89.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.391 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.0 p . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.371 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.44 ' N ' ' OE2' ' A' ' 17' ' ' GLU . 30.0 t -178.37 -65.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.97 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 1.002 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -112.32 -48.97 2.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.24 -37.38 4.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.44 ' OE2' ' N ' ' A' ' 14' ' ' SER . 13.2 pt-20 -65.88 -46.73 77.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.432 HD13 ' HA ' ' A' ' 18' ' ' ILE . 13.2 mm -70.87 -29.91 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 1.002 HG23 ' O ' ' A' ' 15' ' ' ASN . 15.6 t -68.98 -40.87 81.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.541 ' HA ' HG22 ' A' ' 23' ' ' ILE . 0.8 OUTLIER -75.06 -31.45 61.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 108.32 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -69.85 -42.27 73.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.26 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.38 -56.67 5.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.954 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -48.75 -41.8 12.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -68.19 -50.51 53.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -53.62 -28.41 32.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.422 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.954 HD12 ' HA ' ' A' ' 23' ' ' ILE . 44.5 mt -65.78 -100.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.657 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 138.47 -75.29 0.38 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.562 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -117.45 -26.0 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.781 ' HB3' HG23 ' A' ' 26' ' ' ILE . 1.3 tt0 -66.94 -5.26 11.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.584 1.178 . . . . 0.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.833 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 35.31 -154.43 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.832 ' HB1' HD12 ' A' ' 36' ' ' LEU . . . -142.47 96.34 2.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.567 HG23 ' N ' ' A' ' 33' ' ' ALA . 0.6 OUTLIER -79.28 -175.89 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.412 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.567 ' N ' HG23 ' A' ' 32' ' ' THR . . . -52.9 -77.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.49 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -33.42 -58.53 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -36.31 -85.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.085 . . . . 0.0 110.263 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.832 HD12 ' HB1' ' A' ' 31' ' ' ALA . 1.5 mp -43.76 -54.85 4.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.2 m -42.22 -25.54 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.399 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.422 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -91.33 -40.26 11.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 36' ' ' LEU . 1.9 mp0 -50.29 -28.37 7.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.772 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -100.98 -105.16 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.436 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.3 OUTLIER -163.86 25.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.253 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.436 ' CB ' ' O ' ' A' ' 41' ' ' ASN . 1.9 ttt 76.81 51.88 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.772 ' H ' HD12 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -110.95 69.38 0.68 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.684 ' HA ' HG12 ' A' ' 47' ' ' VAL . 10.2 tttt -40.6 -28.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -64.39 -48.97 73.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.603 ' CG ' HD13 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -78.16 -35.17 49.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.322 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.728 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -70.67 -25.24 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.574 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 23.4 m-20 -79.23 -56.3 4.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.238 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -58.98 -31.81 69.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.18 -52.95 12.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.784 HD11 HD22 ' A' ' 36' ' ' LEU . 5.6 mp -53.98 -45.96 71.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.574 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 19.5 m-85 -59.68 -67.43 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.55 -50.76 5.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.432 HD11 HG11 ' A' ' 19' ' ' VAL . 11.1 mt -53.8 -41.12 66.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.125 . . . . 0.0 109.352 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 52' ' ' TYR . 30.0 tt0 -66.05 -56.97 8.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.261 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -53.07 -23.47 7.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 110.303 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.739 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 1.5 p -88.96 -37.3 15.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.971 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.739 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 89.14 15.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -62.79 -24.29 67.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.428 HG23 ' HE3' ' A' ' 70' ' ' TRP . 13.7 m -137.34 167.79 22.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.539 ' CD2' ' HA ' ' A' ' 73' ' ' THR . 1.9 m-85 -125.26 -167.46 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.2 t -133.78 148.58 51.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.426 ' C ' ' N ' ' A' ' 65' ' ' ASP . 22.6 t -83.2 -11.14 58.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 t0 45.63 26.29 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.426 ' N ' ' C ' ' A' ' 63' ' ' SER . 0.8 OUTLIER -151.25 170.14 20.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.985 HD12 ' HD3' ' A' ' 68' ' ' PRO . 0.7 OUTLIER -89.15 138.03 29.14 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.3 Cg_endo -74.98 149.71 94.29 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.015 -0.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.985 ' HD3' HD12 ' A' ' 66' ' ' ILE . 18.4 Cg_endo -75.0 107.98 2.61 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.546 1.814 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.473 ' HB3' ' CB ' ' A' ' 32' ' ' THR . 0.0 OUTLIER -144.67 -176.74 5.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.497 ' CE2' ' HG ' ' A' ' 51' ' ' LEU . 7.7 m95 -109.04 133.7 52.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 108.044 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.562 ' CZ ' ' O ' ' A' ' 28' ' ' ILE . 2.5 m-30 -117.66 -168.76 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.466 ' HB2' ' CD1' ' A' ' 23' ' ' ILE . 36.8 ttp -114.89 98.14 6.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 111.055 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.539 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 0.7 OUTLIER 38.19 85.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.356 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.5 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 110.406 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.415 ' CD ' ' OE1' ' A' ' 17' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.16 -64.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.022 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.832 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -112.68 -51.61 2.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.43 -35.24 0.98 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 18' ' ' ILE . 23.9 pt-20 -63.85 -46.72 83.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 15' ' ' ASN . 24.9 mt -73.97 -29.91 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 15' ' ' ASN . 17.3 t -68.33 -38.98 80.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.55 ' HA ' HG22 ' A' ' 23' ' ' ILE . 5.3 t -75.63 -34.56 60.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 108.289 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -68.17 -32.97 73.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.04 -61.01 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.876 ' HA ' HD12 ' A' ' 26' ' ' ILE . 12.2 tt -46.15 -43.2 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -66.08 -50.47 64.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -53.51 -25.8 18.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.454 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.876 HD12 ' HA ' ' A' ' 23' ' ' ILE . 42.0 mt -73.85 -100.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.528 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 141.28 -72.62 0.4 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.481 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.7 OUTLIER -118.83 -31.11 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.265 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.568 ' HB3' HG23 ' A' ' 26' ' ' ILE . 2.5 tp10 -63.56 -9.78 14.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.254 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.868 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 36.28 -154.62 0.01 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.882 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -124.72 89.16 3.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.52 ' O ' HD13 ' A' ' 36' ' ' LEU . 2.5 t -86.23 160.42 19.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.387 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 36' ' ' LEU . . . -51.7 -63.39 1.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -38.18 -53.78 1.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.493 ' NE2' ' NE2' ' A' ' 39' ' ' GLN . 6.3 tp60 -56.53 -46.89 80.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.882 HD11 ' HB1' ' A' ' 31' ' ' ALA . 9.7 mp -69.64 -6.59 32.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.994 HG23 ' HA ' ' A' ' 42' ' ' MET . 52.1 m -106.66 -15.71 14.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 110.412 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.49 -51.64 4.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.493 ' NE2' ' NE2' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -50.35 -35.52 28.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.313 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.693 HD21 ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -102.88 -77.5 0.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.447 ' O ' ' HB2' ' A' ' 42' ' ' MET . 0.3 OUTLIER 179.29 -56.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.994 ' HA ' HG23 ' A' ' 37' ' ' THR . 1.9 ttt 175.96 36.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.69 ' O ' HG13 ' A' ' 47' ' ' VAL . 1.2 mm-40 -85.33 50.94 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.263 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.754 ' HA ' HG22 ' A' ' 47' ' ' VAL . 13.3 ttpt -54.99 -17.29 3.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.1 ttm-85 -68.74 -46.53 68.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -74.34 -39.0 63.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.266 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.799 ' HB ' HD23 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -72.29 -25.91 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 7.3 t30 -73.21 -62.94 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.4 tptt -54.33 -37.98 65.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.0 -53.14 42.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.575 ' HB3' ' CZ2' ' A' ' 70' ' ' TRP . 0.5 OUTLIER -54.81 -65.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 109.258 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.407 ' O ' ' N ' ' A' ' 55' ' ' GLN . 0.6 OUTLIER -38.75 -63.07 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -44.13 -53.31 6.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.728 ' HB3' HG22 ' A' ' 60' ' ' VAL . 24.0 mt -55.08 -39.24 69.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 52' ' ' TYR . 29.5 tt0 -59.57 -47.53 85.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.23 -17.96 61.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.696 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 19.5 m -86.99 -33.36 19.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 84.34 22.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.412 ' CG ' ' HB3' ' A' ' 57' ' ' SER . 0.7 OUTLIER -85.6 -10.23 56.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.728 HG22 ' HB3' ' A' ' 54' ' ' LEU . 21.1 m -144.54 171.07 7.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.539 ' CD1' ' HA ' ' A' ' 73' ' ' THR . 11.1 m-85 -134.13 -174.64 3.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.5 t -120.21 164.17 16.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.989 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.9 m -89.68 -17.49 28.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.022 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 60.21 22.56 11.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.249 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -141.84 168.41 19.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.646 HD12 ' HA ' ' A' ' 67' ' ' PRO . 3.1 tp -104.57 135.28 19.34 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.646 ' HA ' HD12 ' A' ' 66' ' ' ILE . 18.3 Cg_endo -75.0 172.85 60.95 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.009 -0.021 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.637 ' HD3' HD12 ' A' ' 66' ' ' ILE . 18.4 Cg_endo -74.98 113.8 3.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.475 1.776 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 63.7 mtm-85 -121.46 126.41 49.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.575 ' CZ2' ' HB3' ' A' ' 51' ' ' LEU . 49.3 m95 -79.5 122.86 26.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 107.995 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.86 ' C ' HD11 ' A' ' 23' ' ' ILE . 5.5 m-30 -112.55 -170.97 1.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.416 ' O ' ' C ' ' A' ' 73' ' ' THR . 0.9 OUTLIER -118.47 106.45 12.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.692 ' O ' HG22 ' A' ' 73' ' ' THR . 0.7 OUTLIER 37.07 91.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.382 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.414 HG21 ' HD2' ' A' ' 71' ' ' PHE . 42.4 p . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.436 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 170.91 -81.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.566 1.166 . . . . 0.0 109.972 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.966 ' O ' HG23 ' A' ' 19' ' ' VAL . 13.7 t-20 -112.63 -46.06 3.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 1.01 ' HB1' HD21 ' A' ' 54' ' ' LEU . . . -41.42 -43.88 2.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.402 ' C ' ' OE1' ' A' ' 17' ' ' GLU . 0.7 OUTLIER -68.86 -39.9 79.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.35 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 15' ' ' ASN . 13.8 mm -68.42 -35.76 72.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.966 HG23 ' O ' ' A' ' 15' ' ' ASN . 2.7 t -66.95 -40.89 86.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.469 ' HA ' HG22 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -66.51 -40.37 89.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 108.291 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.19 -33.19 75.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.03 -62.42 1.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.591 HD11 ' CA ' ' A' ' 71' ' ' PHE . 2.5 tt -44.65 -38.57 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.56 -46.81 68.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.8 m -59.3 -28.3 66.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.651 HG21 ' N ' ' A' ' 30' ' ' GLY . 20.5 mm -60.57 -96.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.54 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 140.7 -71.15 0.43 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.932 HD13 ' N ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -119.68 -31.78 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.932 ' N ' HD13 ' A' ' 28' ' ' ILE . 1.2 tp10 -63.99 -11.09 25.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.651 ' N ' HG21 ' A' ' 26' ' ' ILE . . . 35.49 -154.13 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.511 1.132 . . . . 0.0 110.949 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.968 ' HB1' ' CD1' ' A' ' 36' ' ' LEU . . . -129.97 89.83 2.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 0.751 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.547 HG23 ' N ' ' A' ' 33' ' ' ALA . 6.2 t -81.33 -159.19 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.42 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.547 ' N ' HG23 ' A' ' 32' ' ' THR . . . -69.07 -75.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 35' ' ' GLN . . . -36.61 -58.56 0.72 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 34' ' ' ALA . 5.1 mm100 -34.71 -84.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.346 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.968 ' CD1' ' HB1' ' A' ' 31' ' ' ALA . 2.9 mp -44.39 -53.34 6.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.466 ' CG2' ' HA ' ' A' ' 42' ' ' MET . 19.4 m -42.83 -25.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.4 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.421 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -91.86 -41.39 10.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 36' ' ' LEU . 2.9 mp0 -51.66 -29.75 19.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.74 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -102.4 -104.67 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.423 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.4 OUTLIER -162.78 25.34 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.466 ' HA ' ' CG2' ' A' ' 37' ' ' THR . 8.6 ttm 76.21 51.87 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.74 ' H ' HD12 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -108.87 68.25 0.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.261 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.696 ' HA ' HG12 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -40.5 -29.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.257 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.452 ' N ' ' C ' ' A' ' 43' ' ' GLU . 1.2 mtm-85 -63.41 -49.14 74.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.343 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 43' ' ' GLU . 6.7 pt-20 -80.6 -36.25 33.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.696 HG12 ' HA ' ' A' ' 44' ' ' LYS . 0.4 OUTLIER -67.76 -25.35 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 32.7 t-20 -83.99 -47.44 10.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.21 -30.96 71.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.74 -52.08 9.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.877 HD13 ' NE1' ' A' ' 70' ' ' TRP . 13.4 mt -58.63 -33.59 70.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.529 ' CD2' ' N ' ' A' ' 53' ' ' ASP . 3.2 t80 -69.85 -62.37 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.529 ' N ' ' CD2' ' A' ' 52' ' ' TYR . 0.4 OUTLIER -49.55 -42.39 43.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 1.01 HD21 ' HB1' ' A' ' 16' ' ' ALA . 13.7 mt -65.04 -38.74 91.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -61.16 -42.84 99.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.332 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -80.46 -17.65 51.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.693 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 65.1 m -80.42 -31.53 37.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 83.69 16.64 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.435 ' HB2' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -76.66 -20.29 56.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 111.035 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.5 m -140.7 178.24 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.553 ' CD1' ' HA ' ' A' ' 73' ' ' THR . 15.6 m-85 -138.44 -179.61 5.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.66 154.73 33.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.039 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.0 t -81.01 -17.77 49.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 59.64 27.79 17.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -148.27 167.25 25.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.564 ' CG1' ' HA ' ' A' ' 67' ' ' PRO . 8.4 tt -102.52 135.95 19.44 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.564 ' HA ' ' CG1' ' A' ' 66' ' ' ILE . 18.3 Cg_endo -74.98 169.46 74.5 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.991 -2.504 . . . . 0.0 110.973 -0.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 117.11 4.78 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.515 1.797 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.41 ' NH1' ' HD2' ' A' ' 67' ' ' PRO . 8.3 mtm-85 -128.27 129.18 45.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.877 ' NE1' HD13 ' A' ' 51' ' ' LEU . 49.8 m95 -83.19 121.78 27.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 107.979 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.591 ' CA ' HD11 ' A' ' 23' ' ' ILE . 3.7 m-30 -115.73 175.98 5.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.496 ' HE1' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -100.23 109.99 22.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.674 ' O ' HG22 ' A' ' 73' ' ' THR . 0.8 OUTLIER 37.2 90.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.375 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.3 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.404 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.6 t 175.5 -92.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.012 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 1.01 ' O ' HG23 ' A' ' 19' ' ' VAL . 17.7 t30 -108.76 -45.58 3.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.54 -45.64 3.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.65 -38.62 80.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.239 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 15' ' ' ASN . 18.1 mt -69.33 -32.3 52.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 1.01 HG23 ' O ' ' A' ' 15' ' ' ASN . 2.8 t -70.97 -39.77 75.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.493 ' HA ' HG22 ' A' ' 23' ' ' ILE . 1.7 m -69.71 -34.32 73.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 108.335 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.91 -37.63 76.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.7 -56.35 7.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.547 HG22 ' O ' ' A' ' 19' ' ' VAL . 4.3 tt -51.15 -42.95 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.6 -51.25 70.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 m -60.47 -24.5 65.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.393 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.64 HG21 ' N ' ' A' ' 30' ' ' GLY . 2.1 mm -74.77 -100.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.508 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 136.22 -69.18 0.52 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.543 1.152 . . . . 0.0 111.022 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.536 ' C ' HD12 ' A' ' 28' ' ' ILE . 0.5 OUTLIER -116.39 -31.79 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 0.786 . . . . 0.0 109.343 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.492 ' HB3' HG23 ' A' ' 26' ' ' ILE . 1.5 tt0 -64.96 -8.84 17.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.64 ' N ' HG21 ' A' ' 26' ' ' ILE . . . 36.42 -155.69 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.438 1.086 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 1.027 ' HB1' ' CD1' ' A' ' 36' ' ' LEU . . . -116.44 91.82 3.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.432 ' HB ' ' CZ ' ' A' ' 69' ' ' ARG . 1.6 t -79.42 -175.54 4.78 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 110.395 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.405 ' N ' HG23 ' A' ' 32' ' ' THR . . . -57.14 -73.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -39.5 -51.01 2.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.44 ' O ' ' NE2' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -38.12 -84.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.027 ' CD1' ' HB1' ' A' ' 31' ' ' ALA . 6.6 mp -48.08 -52.15 21.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.652 HG23 ' HA ' ' A' ' 42' ' ' MET . 13.3 m -42.22 -25.37 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 110.429 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.433 ' N ' ' C ' ' A' ' 36' ' ' LEU . 25.6 mtp85 -93.37 -38.98 11.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.249 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.473 ' NE2' ' N ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -53.12 -31.63 43.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.704 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -97.48 -103.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.447 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.3 OUTLIER -160.52 24.57 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.652 ' HA ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER 77.92 39.52 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 110.933 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.704 ' H ' HD12 ' A' ' 40' ' ' LEU . 9.0 mm-40 -98.65 64.34 1.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.341 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.629 ' HA ' HG12 ' A' ' 47' ' ' VAL . 27.1 tttt -39.53 -29.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.458 ' N ' ' C ' ' A' ' 43' ' ' GLU . 8.8 mtt-85 -60.77 -51.37 69.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.36 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.5 ' CG ' HD13 ' A' ' 40' ' ' LEU . 7.0 pt-20 -75.67 -37.31 59.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.802 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -66.58 -27.8 41.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 4.0 m-20 -75.97 -63.16 1.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.96 -27.82 46.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.437 ' CB ' ' O ' ' A' ' 46' ' ' GLU . . . -77.71 -45.4 24.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.843 HD11 HD22 ' A' ' 36' ' ' LEU . 4.6 mp -60.62 -39.97 90.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -67.16 -59.06 3.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.38 -45.63 35.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.413 HD22 ' HB2' ' A' ' 59' ' ' MET . 13.5 mt -66.6 -35.46 80.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -61.44 -43.76 98.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.449 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 0.5 OUTLIER -82.26 -17.27 46.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.32 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.667 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 21.6 t -77.9 -30.88 50.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 82.11 18.32 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.413 ' HB2' HD22 ' A' ' 54' ' ' LEU . 0.8 OUTLIER -79.87 -20.6 45.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.447 HG23 ' HE3' ' A' ' 70' ' ' TRP . 8.8 m -143.03 164.07 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.526 ' CD2' ' N ' ' A' ' 74' ' ' THR . 1.9 m-85 -126.05 -169.01 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.67 164.05 21.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.953 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.2 t -89.45 -14.78 34.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.007 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.8 t70 54.43 42.03 31.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -169.8 157.69 7.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.77 HG23 ' HA ' ' A' ' 67' ' ' PRO . 4.7 mp -91.9 140.54 24.86 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.77 ' HA ' HG23 ' A' ' 66' ' ' ILE . 18.3 Cg_endo -75.04 170.2 72.5 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.047 -2.48 . . . . 0.0 110.983 0.003 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 135.84 19.52 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 0.0 110.989 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.432 ' CZ ' ' HB ' ' A' ' 32' ' ' THR . 1.6 mtp85 -154.46 135.28 13.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.522 ' CE2' ' HG ' ' A' ' 51' ' ' LEU . 28.7 m95 -87.52 123.07 32.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 108.016 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.52 ' CZ ' ' O ' ' A' ' 28' ' ' ILE . 8.3 m-30 -112.74 -169.25 1.44 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.482 ' O ' HG22 ' A' ' 73' ' ' THR . 7.8 ttp -111.71 99.54 8.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.701 ' O ' HG22 ' A' ' 74' ' ' THR . 0.6 OUTLIER 57.87 156.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.411 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.701 HG22 ' O ' ' A' ' 73' ' ' THR . 15.1 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.403 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.523 ' CD ' ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.3 t 167.26 -98.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.959 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.501 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -114.97 -35.34 4.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 109.274 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.5 -38.21 63.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.245 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 18' ' ' ILE . 26.7 pt-20 -62.33 -45.92 91.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.436 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 5.3 mt -74.64 -38.93 46.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.647 ' O ' HG22 ' A' ' 23' ' ' ILE . 55.7 t -63.52 -29.67 47.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.545 ' HA ' HG22 ' A' ' 23' ' ' ILE . 1.7 m -80.51 -39.09 28.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 108.31 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.06 -35.33 80.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.41 -61.58 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.647 HG22 ' O ' ' A' ' 19' ' ' VAL . 15.2 tt -46.3 -37.72 3.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.359 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -67.74 -50.82 55.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.4 m -55.16 -25.46 32.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.447 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.621 HG21 ' N ' ' A' ' 30' ' ' GLY . 4.2 mm -68.43 -100.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.5 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 136.36 -68.9 0.52 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.541 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -116.58 -31.7 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.775 . . . . 0.0 109.348 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 30' ' ' GLY . 0.7 OUTLIER -64.02 -10.54 22.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.621 ' N ' HG21 ' A' ' 26' ' ' ILE . . . 36.84 -156.12 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.58 ' O ' HD12 ' A' ' 36' ' ' LEU . . . -130.84 95.66 3.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 0.719 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.451 ' HG1' ' HG2' ' A' ' 69' ' ' ARG . 1.1 t -79.83 160.25 26.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.422 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' LEU . . . -41.5 -67.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -37.78 -61.23 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -54.97 -40.69 70.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.989 ' O ' HD21 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -74.17 -3.64 30.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.662 HG23 ' HA ' ' A' ' 42' ' ' MET . 54.1 m -112.68 -12.97 13.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.347 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.56 -34.96 8.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -29.47 66.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.989 HD21 ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -100.6 -103.16 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -161.85 25.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.662 ' HA ' HG23 ' A' ' 37' ' ' THR . 30.0 mtp 73.2 46.89 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.052 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 46' ' ' GLU . 1.0 OUTLIER -98.19 61.0 1.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.15 . . . . 0.0 110.336 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.726 ' HA ' HG12 ' A' ' 47' ' ' VAL . 3.2 ttmm -41.78 -28.34 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.249 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.433 ' N ' ' C ' ' A' ' 43' ' ' GLU . 72.5 mtm-85 -65.01 -48.96 72.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 43' ' ' GLU . 10.9 pt-20 -79.83 -36.48 36.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.804 HG21 ' O ' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -69.35 -24.3 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 14.2 t-20 -81.68 -55.54 4.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.85 -31.91 65.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.94 -61.59 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.706 HD13 ' O ' ' A' ' 47' ' ' VAL . 6.4 mp -43.06 -37.27 1.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.53 ' CD2' ' N ' ' A' ' 53' ' ' ASP . 3.1 t80 -69.36 -62.88 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.53 ' N ' ' CD2' ' A' ' 52' ' ' TYR . 3.8 t0 -45.68 -48.39 15.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 58' ' ' ALA . 48.8 mt -59.38 -48.33 82.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -55.09 25.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.454 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 9.4 mpt_? -67.2 -18.29 65.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.652 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 34.0 m -85.41 -33.23 22.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.02 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 82.03 5.84 1.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.338 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.4 tpt -61.93 -29.01 69.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.9 m -125.73 164.19 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.529 ' CD2' ' HA ' ' A' ' 73' ' ' THR . 1.5 m-85 -124.9 -166.54 1.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 t -130.69 173.41 10.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.986 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 7.7 t -89.62 -38.58 13.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 63' ' ' SER . 6.1 t0 81.99 25.64 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -153.13 170.19 21.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.274 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.527 ' CG1' ' HA ' ' A' ' 67' ' ' PRO . 8.8 tt -106.85 134.87 19.66 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.527 ' HA ' ' CG1' ' A' ' 66' ' ' ILE . 18.3 Cg_endo -74.96 159.62 97.74 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.008 -0.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 147.69 34.43 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.539 1.81 . . . . 0.0 111.037 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.451 ' HG2' ' HG1' ' A' ' 32' ' ' THR . 48.0 mtt85 -151.61 141.86 22.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.453 ' CE2' ' HG ' ' A' ' 51' ' ' LEU . 37.9 m95 -86.5 119.29 26.6 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.562 ' CD1' ' HA3' ' A' ' 30' ' ' GLY . 5.5 m-30 -109.93 -170.13 1.59 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' THR . 9.9 tmm? -118.77 92.42 3.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.529 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 0.5 OUTLIER 37.45 90.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 110.396 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.4 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.424 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.7 t 178.51 -88.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.994 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 1.001 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -112.39 -37.63 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.74 -43.91 38.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.107 . . . . 0.0 109.266 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -39.04 88.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.3 mt -74.46 -39.17 47.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.423 1.077 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 1.001 HG23 ' O ' ' A' ' 15' ' ' ASN . 3.9 t -64.6 -34.53 70.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.584 ' HA ' HG22 ' A' ' 23' ' ' ILE . 46.8 t -72.17 -42.95 65.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 108.297 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -59.79 -36.12 76.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.98 -65.45 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.727 ' O ' HD13 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -47.49 -31.9 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 20' ' ' CYS . 9.0 tttp -70.28 -52.33 23.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.1 m -54.35 -28.56 43.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 110.368 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.54 HG22 ' N ' ' A' ' 27' ' ' GLY . 21.1 mm -61.24 -98.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.54 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 148.64 -75.99 0.26 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.57 1.169 . . . . 0.0 111.039 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.495 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -116.89 -26.24 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 109.343 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.465 ' H ' HD13 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -66.55 -8.49 27.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.499 ' HA3' ' CE1' ' A' ' 71' ' ' PHE . . . 36.42 -155.25 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.449 1.093 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.485 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -126.17 94.83 4.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 0.752 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.57 HG23 ' N ' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -80.79 174.55 11.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 110.408 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.57 ' N ' HG23 ' A' ' 32' ' ' THR . . . -55.2 -67.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 35' ' ' GLN . . . -37.93 -56.16 1.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 34' ' ' ALA . 2.6 mt-30 -35.7 -75.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.516 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 9.5 mp -47.61 -48.59 28.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.414 1.071 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.903 HG23 ' HA ' ' A' ' 42' ' ' MET . 37.4 m -51.82 -20.59 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.397 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 35' ' ' GLN . 1.3 ttp-105 -94.79 -33.51 12.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.1 -30.09 70.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.629 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -110.36 -64.63 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 42' ' ' MET . 0.3 OUTLIER 164.97 -56.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.903 ' HA ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER 173.04 37.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 111.013 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.629 ' H ' HD12 ' A' ' 40' ' ' LEU . 3.4 tt0 -79.88 52.36 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.641 ' HA ' HG12 ' A' ' 47' ' ' VAL . 39.3 ttmt -49.21 -24.6 1.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -52.5 57.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -77.48 -33.79 54.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.667 ' O ' HD23 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -69.93 -26.65 30.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.559 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 34.8 m-20 -77.75 -57.67 3.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -30.62 63.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.47 -58.55 3.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.844 HD12 ' CD2' ' A' ' 70' ' ' TRP . 0.8 OUTLIER -48.96 -43.94 40.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.559 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 16.0 m-85 -60.89 -67.45 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.957 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -42.02 -52.61 4.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.5 mt -58.96 -39.61 82.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' TYR . 41.5 tt0 -54.6 -49.59 70.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.288 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -73.68 -19.68 60.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.591 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 68.1 m -79.48 -28.63 41.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.074 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 77.19 12.92 2.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.419 ' CE ' ' O ' ' A' ' 59' ' ' MET . 5.6 tpt -70.6 -18.86 62.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 110.998 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 28.2 m -132.11 169.29 22.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.234 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.493 ' CG ' ' HA ' ' A' ' 73' ' ' THR . 0.7 OUTLIER -127.65 -169.36 2.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.67 156.01 45.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.984 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.7 t -88.65 -11.11 46.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.976 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 51.03 43.31 29.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -164.1 152.25 12.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.494 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 3.5 mt -84.34 136.4 40.36 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.3 Cg_endo -74.96 155.28 99.98 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.031 -2.487 . . . . 0.0 111.005 -0.002 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 114.42 4.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.537 ' HD2' ' CZ ' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -128.22 154.11 46.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.844 ' CD2' HD12 ' A' ' 51' ' ' LEU . 42.5 m95 -97.3 129.29 44.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.019 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.637 ' HA ' HD11 ' A' ' 23' ' ' ILE . 7.9 m-30 -112.88 -170.98 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 111.068 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.444 ' O ' ' C ' ' A' ' 73' ' ' THR . 3.5 ttp -116.96 95.85 5.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.493 ' HA ' ' CG ' ' A' ' 61' ' ' TYR . 8.4 t 35.23 55.89 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 110.388 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.1 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.1 m -172.04 -99.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.041 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 1.004 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -114.72 -37.15 4.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.97 -38.6 23.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -39.86 92.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.252 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.8 mt -73.96 -37.32 47.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 1.004 HG23 ' O ' ' A' ' 15' ' ' ASN . 7.1 t -62.46 -41.4 91.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.572 ' HA ' HG22 ' A' ' 23' ' ' ILE . 3.2 t -70.12 -39.85 75.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 108.328 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -30.02 70.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.34 -61.45 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.975 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -52.82 -26.98 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 20' ' ' CYS . 0.1 OUTLIER -78.75 -48.65 14.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.5 m -58.63 -35.29 72.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.378 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.975 HD12 ' HA ' ' A' ' 23' ' ' ILE . 23.4 mt -58.78 -99.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.513 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 136.27 -68.42 0.53 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.101 . . . . 0.0 111.014 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.576 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -115.18 -33.25 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 0.784 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.457 ' C ' HG21 ' A' ' 26' ' ' ILE . 0.8 OUTLIER -65.14 -9.3 21.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.34 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.975 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 36.75 -156.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.934 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -137.4 95.59 3.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 t -80.06 179.36 7.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.349 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . -58.02 -74.16 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -38.98 -49.25 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -37.5 -78.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.934 HD11 ' HB1' ' A' ' 31' ' ' ALA . 9.4 mp -46.91 -49.47 20.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.898 HG23 ' HA ' ' A' ' 42' ' ' MET . 82.0 m -48.88 -22.42 0.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.4 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.26 -38.97 11.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -60.36 -29.45 68.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.667 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -110.65 -70.82 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 172.85 -54.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.898 ' HA ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER 173.46 37.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.667 ' H ' HD12 ' A' ' 40' ' ' LEU . 7.4 mt-10 -93.05 55.37 2.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.32 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.756 ' HA ' HG22 ' A' ' 47' ' ' VAL . 0.5 OUTLIER -52.93 -16.02 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.432 ' N ' ' C ' ' A' ' 43' ' ' GLU . 1.3 mpt_? -66.56 -45.41 79.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -76.23 -32.63 59.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.097 . . . . 0.0 110.339 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.756 HG22 ' HA ' ' A' ' 44' ' ' LYS . 0.9 OUTLIER -77.94 -26.32 14.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 44' ' ' LYS . 12.7 t30 -74.71 -49.73 20.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.42 -33.36 74.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.86 -37.83 64.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 1.057 HD22 ' CD2' ' A' ' 70' ' ' TRP . 41.7 mt -73.74 -33.95 64.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.083 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -66.85 -44.53 80.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.64 -39.51 77.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.0 mt -69.59 -27.48 65.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.362 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -81.71 -30.26 32.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.428 ' N ' ' HD2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -81.67 -24.52 36.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.751 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 2.0 p -84.69 -34.23 23.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.751 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 89.82 20.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -74.63 -29.87 61.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.6 m -121.58 -156.82 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -174.1 -173.86 0.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 111.046 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.6 t -117.69 168.22 10.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 109.998 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 10.7 t -85.7 -30.67 22.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.962 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 63' ' ' SER . 3.6 t0 81.6 28.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -155.12 171.55 19.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.497 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -105.33 136.2 19.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.4 Cg_endo -74.97 166.54 82.96 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 121.008 -2.497 . . . . 0.0 111.026 -0.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 115.0 4.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 111.045 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.4 128.6 54.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.282 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 1.057 ' CD2' HD22 ' A' ' 51' ' ' LEU . 74.0 m95 -75.85 119.75 20.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 107.984 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.576 ' CZ ' ' O ' ' A' ' 28' ' ' ILE . 4.4 m-30 -114.06 -173.62 2.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.15 . . . . 0.0 111.038 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.403 ' C ' HG22 ' A' ' 73' ' ' THR . 39.3 ttp -110.82 72.83 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.403 HG22 ' C ' ' A' ' 72' ' ' MET . 1.3 t 38.91 73.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.5 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.356 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.457 ' N ' ' OE2' ' A' ' 17' ' ' GLU . 39.5 t 179.96 -59.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 110.024 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.758 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -111.73 -54.2 2.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.58 -32.45 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.457 ' OE2' ' N ' ' A' ' 14' ' ' SER . 13.1 pt-20 -70.27 -46.57 64.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.352 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 15' ' ' ASN . 30.4 mt -73.36 -32.54 37.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' ' 15' ' ' ASN . 33.6 t -65.78 -41.23 89.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.406 ' HA ' HG22 ' A' ' 23' ' ' ILE . 2.2 m -69.39 -43.72 72.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 108.276 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -64.67 -27.17 68.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.16 -61.14 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.787 ' HA ' HD12 ' A' ' 26' ' ' ILE . 10.9 tt -51.25 -30.66 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -73.41 -53.3 11.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 m -51.27 -30.32 17.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 110.387 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.813 HD13 ' O ' ' A' ' 30' ' ' GLY . 23.8 mt -71.65 -100.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.491 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 131.91 -67.04 0.57 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.533 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -115.9 -29.59 2.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 0.786 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.559 ' CB ' HG23 ' A' ' 26' ' ' ILE . 1.2 tp10 -65.4 -9.09 22.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.813 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 36.8 -155.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.773 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -131.65 95.18 3.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.788 . . . . 0.0 109.328 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.466 ' CB ' ' HB3' ' A' ' 69' ' ' ARG . 1.2 t -78.84 178.91 7.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.412 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . -67.3 -68.53 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -37.82 -58.48 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.455 ' HB2' HG22 ' A' ' 32' ' ' THR . 1.6 mt-30 -36.54 -71.56 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.843 HD23 ' CG2' ' A' ' 47' ' ' VAL . 8.5 mp -49.34 -45.55 45.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.897 HG23 ' HA ' ' A' ' 42' ' ' MET . 82.7 m -57.12 -17.75 12.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.369 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -95.97 -31.76 12.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 110.283 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -66.57 -28.89 68.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 110.286 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.805 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -110.65 -73.93 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.447 ' O ' ' CB ' ' A' ' 42' ' ' MET . 0.2 OUTLIER 173.41 -43.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.897 ' HA ' HG23 ' A' ' 37' ' ' THR . 2.4 mtm 164.33 41.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.805 ' H ' HD12 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -98.26 59.38 1.35 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.352 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.4 OUTLIER -65.96 -16.3 63.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.09 . . . . 0.0 109.27 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -56.2 19.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.43 ' OE2' HG23 ' A' ' 47' ' ' VAL . 0.9 OUTLIER -72.37 -38.04 68.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.843 ' CG2' HD23 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -68.05 -24.82 30.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.532 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 9.2 m-20 -74.47 -58.1 3.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -57.14 -30.87 64.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.347 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.95 -53.41 10.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.874 HD23 ' CE2' ' A' ' 70' ' ' TRP . 3.0 mp -53.45 -47.05 70.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.532 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 23.3 m-85 -58.46 -64.93 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.35 -46.42 9.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.0 mt -61.78 -38.93 89.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' TYR . 1.3 tm0? -58.31 -44.54 88.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.319 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.01 -18.94 55.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.706 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 29.9 t -79.44 -28.53 41.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 86.14 28.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.65 -18.66 21.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 111.009 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.436 HG23 ' N ' ' A' ' 61' ' ' TYR . 2.8 m -141.96 -165.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.436 ' N ' HG23 ' A' ' 60' ' ' VAL . 8.4 t80 -168.53 -177.57 3.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.8 t -121.41 146.9 46.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.01 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.84 -34.28 22.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.998 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 61.92 18.33 9.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -138.38 149.94 46.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.509 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 2.3 tt -81.4 134.2 51.98 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.3 Cg_endo -74.97 143.68 78.58 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 120.977 -2.51 . . . . 0.0 111.049 -0.033 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.2 Cg_endo -75.02 147.51 33.95 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.566 ' HG3' ' CE1' ' A' ' 71' ' ' PHE . 8.7 ptp180 176.72 173.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.874 ' CE2' HD23 ' A' ' 51' ' ' LEU . 22.4 m95 -94.88 127.43 40.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 108.023 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.566 ' CE1' ' HG3' ' A' ' 69' ' ' ARG . 4.4 m-30 -115.17 -176.11 2.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.501 ' CG ' ' O ' ' A' ' 72' ' ' MET . 3.3 ptp -101.63 71.19 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 72' ' ' MET . 1.0 OUTLIER 36.29 88.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.392 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.5 p . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.417 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.8 t -173.06 -85.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.938 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.739 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -112.54 -40.9 3.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.471 ' HB1' HD21 ' A' ' 54' ' ' LEU . . . -46.63 -40.25 12.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.73 -44.12 97.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.413 HD13 ' HA ' ' A' ' 18' ' ' ILE . 1.4 mm -73.85 -41.42 53.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 15' ' ' ASN . 39.4 t -59.49 -36.65 65.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.763 ' O ' HG22 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -68.75 -63.21 1.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 108.302 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -45.59 -29.31 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.07 -54.56 9.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.864 ' HA ' HD12 ' A' ' 26' ' ' ILE . 6.0 tt -53.87 -26.69 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.81 -49.57 17.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.24 -31.17 63.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.368 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.896 HD13 ' O ' ' A' ' 30' ' ' GLY . 46.5 mt -65.31 -100.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.503 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 139.82 -72.08 0.42 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 110.959 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.524 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -117.08 -29.56 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.771 . . . . 0.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 30' ' ' GLY . 0.4 OUTLIER -64.7 -9.77 22.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.233 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.896 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 36.16 -154.69 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.684 ' HB1' ' CD1' ' A' ' 36' ' ' LEU . . . -139.49 97.71 3.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 0.771 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.492 HG23 ' N ' ' A' ' 33' ' ' ALA . 15.2 t -82.88 -152.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.431 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.492 ' N ' HG23 ' A' ' 32' ' ' THR . . . -72.39 -73.48 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 35' ' ' GLN . . . -39.78 -48.88 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 34' ' ' ALA . 3.6 mm100 -38.39 -81.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.684 ' CD1' ' HB1' ' A' ' 31' ' ' ALA . 9.4 mp -46.03 -50.48 15.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.96 HG23 ' HA ' ' A' ' 42' ' ' MET . 25.9 m -47.86 -22.91 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.409 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.87 -45.88 8.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -52.38 -29.34 23.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 110.267 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.726 HD12 ' H ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -110.18 -73.88 0.67 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.421 ' O ' ' HB3' ' A' ' 42' ' ' MET . 0.3 OUTLIER 176.18 -50.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.96 ' HA ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER 167.28 39.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.726 ' H ' HD12 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -91.68 55.4 2.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.763 ' HA ' HG22 ' A' ' 47' ' ' VAL . 19.2 tttt -45.95 -23.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.408 ' N ' ' C ' ' A' ' 43' ' ' GLU . 0.4 OUTLIER -68.5 -42.55 78.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.269 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.473 ' CG ' ' HB3' ' A' ' 43' ' ' GLU . 0.6 OUTLIER -77.42 -37.62 51.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.763 HG22 ' HA ' ' A' ' 44' ' ' LYS . 1.0 OUTLIER -73.95 -26.59 21.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 9.0 t30 -75.18 -51.77 12.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.66 -32.11 73.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.63 -43.08 49.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.941 HD22 ' CD2' ' A' ' 70' ' ' TRP . 29.9 mt -66.93 -34.9 78.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.508 ' CD2' ' N ' ' A' ' 53' ' ' ASP . 1.7 t80 -66.68 -58.39 5.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.508 ' N ' ' CD2' ' A' ' 52' ' ' TYR . 2.7 t0 -51.11 -51.56 52.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.471 HD21 ' HB1' ' A' ' 16' ' ' ALA . 21.4 mt -55.35 -40.94 71.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.57 -49.74 76.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -70.44 -17.74 63.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.682 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 25.1 t -86.33 -34.26 20.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 84.08 18.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.402 ' CG ' ' OG ' ' A' ' 57' ' ' SER . 0.0 OUTLIER -78.97 -24.86 43.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.989 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.403 ' CG1' HD13 ' A' ' 54' ' ' LEU . 33.2 m -120.08 -171.84 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.561 ' CZ ' ' C ' ' A' ' 74' ' ' THR . 15.9 t80 -135.14 168.87 18.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.37 138.68 47.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.17 -24.47 54.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.02 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 64.19 41.19 6.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -158.46 169.62 24.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.341 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.555 HD12 ' HD3' ' A' ' 68' ' ' PRO . 4.6 tp -103.36 132.64 20.9 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.531 ' HA ' HD12 ' A' ' 66' ' ' ILE . 18.2 Cg_endo -75.03 172.8 61.22 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.961 -2.516 . . . . 0.0 110.989 0.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.555 ' HD3' HD12 ' A' ' 66' ' ' ILE . 18.1 Cg_endo -74.99 107.54 2.51 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.775 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 -108.18 120.11 41.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.941 ' CD2' HD22 ' A' ' 51' ' ' LEU . 61.3 m95 -92.61 124.96 37.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 107.969 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.616 ' CA ' HD11 ' A' ' 23' ' ' ILE . 4.0 m-30 -115.58 -167.77 1.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.499 ' O ' ' C ' ' A' ' 73' ' ' THR . 0.0 OUTLIER -117.23 101.59 8.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.69 HG23 ' O ' ' A' ' 73' ' ' THR . 13.1 t 30.09 90.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.561 ' C ' ' CZ ' ' A' ' 61' ' ' TYR . 2.7 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.381 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.413 ' C ' ' CD ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.446 ' N ' ' OE2' ' A' ' 17' ' ' GLU . 13.3 t -179.43 -73.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.013 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.974 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -119.01 -47.79 2.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.72 -40.23 9.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.446 ' OE2' ' N ' ' A' ' 14' ' ' SER . 14.9 pt-20 -61.69 -44.06 97.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.346 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' A' ' 18' ' ' ILE . 19.8 mm -74.77 -31.78 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.974 HG23 ' O ' ' A' ' 15' ' ' ASN . 14.9 t -69.3 -31.91 51.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.582 ' HA ' HG22 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -82.14 -39.57 23.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 108.287 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -66.22 -34.68 78.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.45 -60.56 2.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.69 HG22 ' O ' ' A' ' 19' ' ' VAL . 11.5 tt -48.59 -38.62 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -66.07 -60.19 3.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -46.93 -28.98 1.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 110.419 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.631 HG21 ' N ' ' A' ' 30' ' ' GLY . 1.8 mm -67.31 -100.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.491 ' N ' HG22 ' A' ' 26' ' ' ILE . . . 134.01 -66.96 0.56 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.115 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.409 HG13 ' N ' ' A' ' 29' ' ' GLU . 0.6 OUTLIER -116.77 -32.8 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.505 0.768 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.457 ' CB ' HG23 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -62.16 -12.19 18.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.347 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.631 ' N ' HG21 ' A' ' 26' ' ' ILE . . . 35.46 -153.17 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.8 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -118.75 82.52 1.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 0.738 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.34 149.79 25.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 110.394 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 36' ' ' LEU . . . -40.8 -63.84 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 33' ' ' ALA . . . -38.68 -52.56 1.67 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.127 . . . . 0.0 109.352 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -43.0 99.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.8 HD11 ' HB1' ' A' ' 31' ' ' ALA . 2.2 mp -66.75 -10.68 49.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.75 HG23 ' HA ' ' A' ' 42' ' ' MET . 22.0 m -104.4 -21.59 13.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.396 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.41 -53.21 4.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.284 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.04 -28.08 3.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.695 HD21 ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -114.87 -95.68 0.46 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.496 ' O ' ' HB2' ' A' ' 42' ' ' MET . 0.3 OUTLIER -157.86 -56.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.75 ' HA ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER 172.35 40.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.965 ' O ' HG13 ' A' ' 47' ' ' VAL . 0.8 OUTLIER -79.47 48.6 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.769 ' HA ' HG22 ' A' ' 47' ' ' VAL . 17.4 tttt -51.08 -29.04 11.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -70.91 -44.44 66.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.403 ' HG3' ' HB3' ' A' ' 43' ' ' GLU . 0.9 OUTLIER -76.47 -40.93 48.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.965 HG13 ' O ' ' A' ' 43' ' ' GLU . 1.2 m -70.27 -26.34 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.544 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 4.3 t-20 -73.55 -59.55 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.242 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.51 -32.98 65.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.07 -49.61 35.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.85 HD23 ' CE2' ' A' ' 70' ' ' TRP . 6.2 mp -59.93 -31.34 69.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.541 ' CD2' ' N ' ' A' ' 53' ' ' ASP . 2.9 t80 -67.6 -64.99 0.75 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.035 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.541 ' N ' ' CD2' ' A' ' 52' ' ' TYR . 2.6 t0 -46.24 -45.31 17.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 54.4 mt -64.28 -37.61 88.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.571 1.169 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -59.23 -38.91 81.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -86.4 -16.9 35.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.684 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 49.2 m -83.57 -31.22 26.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.024 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.684 ' HB3' ' O ' ' A' ' 57' ' ' SER . . . 84.38 24.41 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.2 mmt -86.22 -17.69 34.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.3 m -141.04 158.33 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.514 ' CG ' ' HA ' ' A' ' 73' ' ' THR . 1.8 m-85 -125.37 -167.28 1.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.71 151.8 47.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.056 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.506 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -71.32 -34.39 70.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.039 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.506 ' CB ' ' O ' ' A' ' 63' ' ' SER . 6.3 t0 82.3 21.85 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.16 166.77 27.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.515 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 1.1 mp -96.08 139.53 21.83 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 66' ' ' ILE . 18.4 Cg_endo -75.0 173.44 57.9 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.038 -0.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 116.99 4.76 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.513 1.796 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.8 mtp85 -128.85 142.3 51.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.85 ' CE2' HD23 ' A' ' 51' ' ' LEU . 25.1 m95 -91.9 120.79 32.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 108.035 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.575 ' C ' HD11 ' A' ' 23' ' ' ILE . 4.3 m-30 -109.3 -169.11 1.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.926 ' O ' HG22 ' A' ' 73' ' ' THR . 0.0 OUTLIER -113.2 97.84 6.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.926 HG22 ' O ' ' A' ' 72' ' ' MET . 9.2 t 56.11 156.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.352 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.706 HG22 ' O ' ' A' ' 73' ' ' THR . 15.0 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.383 179.979 . . . . . . . . 1 1 . 1 stop_ save_